2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol

C147H141N23O10 — CID 160849336

IUPAC2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol
SMILESCC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.CC(C)(c1ccccc1)c1cc(-n2n3c4ccccc4n23)c(O)c(C(C)(C)c2ccccc2)c1.CC(C)CC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.CCCCOc1ccc(O)c(-n2n3c4ccccc4n23)c1.CCCOc1ccc(O)c(-n2n3c4ccccc4n23)c1.Cc1ccc(O)c(-n2n3c4ccc(-c5ccccc5)cc4n23)c1.Cc1ccc(O)c(-n2n3c4ccccc4n23)c1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H29N3O.C19H15N3O.C19H23N3O.C19H14N2O.C16H17N3O2.C16H17N3O.C15H15N3O2.C13H11N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32(31)33;1-13-7-10-19(23)18(11-13)22-20-16-9-8-15(12-17(16)21(20)22)14-5-3-2-4-6-14;1-13(2)12-19(3,4)14-9-10-18(23)17(11-14)22-20-15-7-5-6-8-16(15)21(20)22;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;1-2-3-10-21-12-8-9-16(20)15(11-12)19-17-13-6-4-5-7-14(13)18(17)19;1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18(17)19;1-2-9-20-11-7-8-15(19)14(10-11)18-16-12-5-3-4-6-13(12)17(16)18;1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15(14)16/h5-20,34H,1-4H3;2-12,23H,1H3;5-11,13,23H,12H2,1-4H3;1-13,22H;4-9,11,20H,2-3,10H2,1H3;4-10,20H,1-3H3;3-8,10,19H,2,9H2,1H3;2-8,17H,1H3
InChIKeySJBAIAVHHVREGU-UHFFFAOYSA-N
MW2389.90 g/mol
LogP31.81
Rot. Bonds24

About 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol

2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol (PubChem CID 160849336) has the molecular formula C147H141N23O10 and a molecular weight of 2389.90 g/mol. Its IUPAC name is 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol.

Molecular Properties

Compound Name2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol
PubChem CID160849336
Molecular FormulaC147H141N23O10
Molecular Weight2389.90 g/mol
Exact Mass2388.12
IUPAC Name2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol
SMILESCC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.CC(C)(c1ccccc1)c1cc(-n2n3c4ccccc4n23)c(O)c(C(C)(C)c2ccccc2)c1.CC(C)CC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.CCCCOc1ccc(O)c(-n2n3c4ccccc4n23)c1.CCCOc1ccc(O)c(-n2n3c4ccccc4n23)c1.Cc1ccc(O)c(-n2n3c4ccc(-c5ccccc5)cc4n23)c1.Cc1ccc(O)c(-n2n3c4ccccc4n23)c1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H29N3O.C19H15N3O.C19H23N3O.C19H14N2O.C16H17N3O2.C16H17N3O.C15H15N3O2.C13H11N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32(31)33;1-13-7-10-19(23)18(11-13)22-20-16-9-8-15(12-17(16)21(20)22)14-5-3-2-4-6-14;1-13(2)12-19(3,4)14-9-10-18(23)17(11-14)22-20-15-7-5-6-8-16(15)21(20)22;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;1-2-3-10-21-12-8-9-16(20)15(11-12)19-17-13-6-4-5-7-14(13)18(17)19;1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18(17)19;1-2-9-20-11-7-8-15(19)14(10-11)18-16-12-5-3-4-6-13(12)17(16)18;1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15(14)16/h5-20,34H,1-4H3;2-12,23H,1H3;5-11,13,23H,12H2,1-4H3;1-13,22H;4-9,11,20H,2-3,10H2,1H3;4-10,20H,1-3H3;3-8,10,19H,2,9H2,1H3;2-8,17H,1H3
InChIKeySJBAIAVHHVREGU-UHFFFAOYSA-N
XLogP31.81
TPSA294.37 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002389.90
LogP ≤ 531.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol with MolForge

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Launch Full Analysis

Related Compounds

4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
CID 161301084
4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol
CID 59642292
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
2-(benzotriazol-2-yl)-5-(dimethylamino)phenol;2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-tert-butyl-4-methylphenol;2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
CID 161009979
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164742817
2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 153476525
2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 176593542
2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(benzotriazol-2-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;1-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-methylphenoxy]-3-dodecoxypropan-2-ol;1-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-methylphenoxy]-3-tridecoxypropan-2-ol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
CID 159269389
2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164742899
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164713433
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol?
The IUPAC name of 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol (CID 160849336) is 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol.
What is the SMILES notation for 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol?
The canonical SMILES for 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol is CC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.CC(C)(c1ccccc1)c1cc(-n2n3c4ccccc4n23)c(O)c(C(C)(C)c2ccccc2)c1.CC(C)CC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.CCCCOc1ccc(O)c(-n2n3c4ccccc4n23)c1.CCCOc1ccc(O)c(-n2n3c4ccccc4n23)c1.Cc1ccc(O)c(-n2n3c4ccc(-c5ccccc5)cc4n23)c1.Cc1ccc(O)c(-n2n3c4ccccc4n23)c1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol?
The InChIKey is SJBAIAVHHVREGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O.C19H15N3O.C19H23N3O.C19H14N2O.C16H17N3O2.C16H17N3O.C15H15N3O2.C13H11N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32(31)33;1-13-7-10-19(23)18(11-13)22-20-16-9-8-15(12-17(16)21(20)22)14-5-3-2-4-6-14;1-13(2)12-19(3,4)14-9-10-18(23)17(11-14)22-20-15-7-5-6-8-16(15)21(20)22;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;1-2-3-10-21-12-8-9-16(20)15(11-12)19-17-13-6-4-5-7-14(13)18(17)19;1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18(17)19;1-2-9-20-11-7-8-15(19)14(10-11)18-16-12-5-3-4-6-13(12)17(16)18;1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15(14)16/h5-20,34H,1-4H3;2-12,23H,1H3;5-11,13,23H,12H2,1-4H3;1-13,22H;4-9,11,20H,2-3,10H2,1H3;4-10,20H,1-3H3;3-8,10,19H,2,9H2,1H3;2-8,17H,1H3.
What are the key properties of 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol?
2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol has a molecular weight of 2389.90 g/mol, XLogP of 31.81, 24 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-phenylpropan-2-yl)-6-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-butoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;4-propoxy-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol is sourced from PubChem (CID 160849336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).