3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene

C57H37N5 — CID 156900535

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2ccc(-c3c4ccccc4n4ccc5c6cc(-c7ccccc7)ccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5c34)cc2)cc1
InChIInChI=1S/C57H37N5/c1-5-16-38(17-6-1)40-28-30-41(31-29-40)52-48-26-13-14-27-50(48)61-35-34-47-49-37-44(39-18-7-2-8-19-39)32-33-51(49)62(53(47)54(52)61)46-25-15-24-45(36-46)57-59-55(42-20-9-3-10-21-42)58-56(60-57)43-22-11-4-12-23-43/h1-37H
InChIKeyNPBZGJSFCICAFA-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.38
Rot. Bonds7

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene (PubChem CID 156900535) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene
PubChem CID156900535
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2ccc(-c3c4ccccc4n4ccc5c6cc(-c7ccccc7)ccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5c34)cc2)cc1
InChIInChI=1S/C57H37N5/c1-5-16-38(17-6-1)40-28-30-41(31-29-40)52-48-26-13-14-27-50(48)61-35-34-47-49-37-44(39-18-7-2-8-19-39)32-33-51(49)62(53(47)54(52)61)46-25-15-24-45(36-46)57-59-55(42-20-9-3-10-21-42)58-56(60-57)43-22-11-4-12-23-43/h1-37H
InChIKeyNPBZGJSFCICAFA-UHFFFAOYSA-N
XLogP14.38
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene 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

11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
5-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118517632
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-12-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168729405
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene (CID 156900535) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene is c1ccc(-c2ccc(-c3c4ccccc4n4ccc5c6cc(-c7ccccc7)ccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5c34)cc2)cc1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene?
The InChIKey is NPBZGJSFCICAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-5-16-38(17-6-1)40-28-30-41(31-29-40)52-48-26-13-14-27-50(48)61-35-34-47-49-37-44(39-18-7-2-8-19-39)32-33-51(49)62(53(47)54(52)61)46-25-15-24-45(36-46)57-59-55(42-20-9-3-10-21-42)58-56(60-57)43-22-11-4-12-23-43/h1-37H.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene has a molecular weight of 791.96 g/mol, XLogP of 14.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 156900535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).