9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole

C63H45N5 — CID 174269557

IUPAC9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3-n3c4cc(-c5ccccc5)ccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)N2)cc1
InChIInChI=1S/C63H45N5/c1-6-20-42(21-7-1)46-36-38-52-57(40-46)68(56-35-19-32-50(60(52)56)49-31-18-34-55-59(49)51-30-16-17-33-54(51)67(55)48-28-14-5-15-29-48)58-41-47(43-22-8-2-9-23-43)37-39-53(58)63-65-61(44-24-10-3-11-25-44)64-62(66-63)45-26-12-4-13-27-45/h1-41,61,63,65H,(H,64,66)
InChIKeyPNBLRBQIXPFVBC-UHFFFAOYSA-N
MW872.09 g/mol
LogP15.22
Rot. Bonds8

About 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole

9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 174269557) has the molecular formula C63H45N5 and a molecular weight of 872.09 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
PubChem CID174269557
Molecular FormulaC63H45N5
Molecular Weight872.09 g/mol
Exact Mass871.37
IUPAC Name9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3-n3c4cc(-c5ccccc5)ccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)N2)cc1
InChIInChI=1S/C63H45N5/c1-6-20-42(21-7-1)46-36-38-52-57(40-46)68(56-35-19-32-50(60(52)56)49-31-18-34-55-59(49)51-30-16-17-33-54(51)67(55)48-28-14-5-15-29-48)58-41-47(43-22-8-2-9-23-43)37-39-53(58)63-65-61(44-24-10-3-11-25-44)64-62(66-63)45-26-12-4-13-27-45/h1-41,61,63,65H,(H,64,66)
InChIKeyPNBLRBQIXPFVBC-UHFFFAOYSA-N
XLogP15.22
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.09
LogP ≤ 515.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole 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-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-2-yl)benzo[b][1]benzazepine
CID 137010820
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
CID 166962280
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962590
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
23-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 155772863
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (CID 174269557) is 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3-n3c4cc(-c5ccccc5)ccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)N2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is PNBLRBQIXPFVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N5/c1-6-20-42(21-7-1)46-36-38-52-57(40-46)68(56-35-19-32-50(60(52)56)49-31-18-34-55-59(49)51-30-16-17-33-54(51)67(55)48-28-14-5-15-29-48)58-41-47(43-22-8-2-9-23-43)37-39-53(58)63-65-61(44-24-10-3-11-25-44)64-62(66-63)45-26-12-4-13-27-45/h1-41,61,63,65H,(H,64,66).
What are the key properties of 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 872.09 g/mol, XLogP of 15.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 174269557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).