10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene

C49H33N5O — CID 118265431

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
SMILESCC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc2-c2ccc3oc(-c4ccccc4)nc3c21
InChIInChI=1S/C49H33N5O/c1-49(2)39-28-38-35-20-12-13-21-40(35)54(41(38)29-37(39)36-26-27-42-44(43(36)49)50-48(55-42)33-18-10-5-11-19-33)34-24-22-32(23-25-34)47-52-45(30-14-6-3-7-15-30)51-46(53-47)31-16-8-4-9-17-31/h3-29H,1-2H3
InChIKeyCAPIFHQTTZJEEW-UHFFFAOYSA-N
MW707.84 g/mol
LogP12.08
Rot. Bonds5

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene (PubChem CID 118265431) has the molecular formula C49H33N5O and a molecular weight of 707.84 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
PubChem CID118265431
Molecular FormulaC49H33N5O
Molecular Weight707.84 g/mol
Exact Mass707.27
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
SMILESCC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc2-c2ccc3oc(-c4ccccc4)nc3c21
InChIInChI=1S/C49H33N5O/c1-49(2)39-28-38-35-20-12-13-21-40(35)54(41(38)29-37(39)36-26-27-42-44(43(36)49)50-48(55-42)33-18-10-5-11-19-33)34-24-22-32(23-25-34)47-52-45(30-14-6-3-7-15-30)51-46(53-47)31-16-8-4-9-17-31/h3-29H,1-2H3
InChIKeyCAPIFHQTTZJEEW-UHFFFAOYSA-N
XLogP12.08
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.84
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756148
22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-32,32-dimethyl-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23,25,27,29-pentadecaene
CID 122470346
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 90201671
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 130231160
9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138573376
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
5-(2,6-diphenylpyrimidin-4-yl)-15,15-dimethyl-25-phenyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 118242820
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene (CID 118265431) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene is CC1(C)c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc2-c2ccc3oc(-c4ccccc4)nc3c21.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene?
The InChIKey is CAPIFHQTTZJEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5O/c1-49(2)39-28-38-35-20-12-13-21-40(35)54(41(38)29-37(39)36-26-27-42-44(43(36)49)50-48(55-42)33-18-10-5-11-19-33)34-24-22-32(23-25-34)47-52-45(30-14-6-3-7-15-30)51-46(53-47)31-16-8-4-9-17-31/h3-29H,1-2H3.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene has a molecular weight of 707.84 g/mol, XLogP of 12.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23,23-dimethyl-19-phenyl-18-oxa-10,20-diazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene is sourced from PubChem (CID 118265431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).