8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene

C39H30N4O — CID 155616602

IUPAC8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
SMILESCC1(C)c2ccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc2N2CN(c3ccccc3)c3cccc1c32
InChIInChI=1S/C39H30N4O/c1-39(2)31-21-19-28(24-36(31)42-25-41(26-11-4-3-5-12-26)34-16-10-14-32(39)38(34)42)44-27-18-20-30-29-13-6-7-15-33(29)43(35(30)23-27)37-17-8-9-22-40-37/h3-24H,25H2,1-2H3
InChIKeyRDRFANMOIURNJG-UHFFFAOYSA-N
MW570.70 g/mol
LogP9.86
Rot. Bonds4

About 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene

8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene (PubChem CID 155616602) has the molecular formula C39H30N4O and a molecular weight of 570.70 g/mol. Its IUPAC name is 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene.

Molecular Properties

Compound Name8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
PubChem CID155616602
Molecular FormulaC39H30N4O
Molecular Weight570.70 g/mol
Exact Mass570.24
IUPAC Name8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
SMILESCC1(C)c2ccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc2N2CN(c3ccccc3)c3cccc1c32
InChIInChI=1S/C39H30N4O/c1-39(2)31-21-19-28(24-36(31)42-25-41(26-11-4-3-5-12-26)34-16-10-14-32(39)38(34)42)44-27-18-20-30-29-13-6-7-15-33(29)43(35(30)23-27)37-17-8-9-22-40-37/h3-24H,25H2,1-2H3
InChIKeyRDRFANMOIURNJG-UHFFFAOYSA-N
XLogP9.86
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene with MolForge

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Related Compounds

8,8,14-trimethyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616528
1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
CID 165375181
14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diaza-8-germatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzogermole]
CID 155616684
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
11-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169294245
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
14-methyl-1',8'-diphenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-thioxanthene]
CID 165374791
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine
CID 140954813

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene?
The IUPAC name of 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene (CID 155616602) is 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene.
What is the SMILES notation for 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene?
The canonical SMILES for 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene is CC1(C)c2ccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc2N2CN(c3ccccc3)c3cccc1c32.
What is the InChIKey of 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene?
The InChIKey is RDRFANMOIURNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N4O/c1-39(2)31-21-19-28(24-36(31)42-25-41(26-11-4-3-5-12-26)34-16-10-14-32(39)38(34)42)44-27-18-20-30-29-13-6-7-15-33(29)43(35(30)23-27)37-17-8-9-22-40-37/h3-24H,25H2,1-2H3.
What are the key properties of 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene?
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene has a molecular weight of 570.70 g/mol, XLogP of 9.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene is sourced from PubChem (CID 155616602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).