7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole

C55H35N5 — CID 130351579

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6ccc54)c3)n2)cc1
InChIInChI=1S/C55H35N5/c1-4-15-36(16-5-1)53-56-54(37-17-6-2-7-18-37)58-55(57-53)41-19-14-22-43(34-41)60-49-26-13-11-24-47(49)52-44-30-27-38(33-40(44)29-32-50(52)60)39-28-31-46-45-23-10-12-25-48(45)59(51(46)35-39)42-20-8-3-9-21-42/h1-35H
InChIKeyWAOHPWAATQKGLH-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.89
Rot. Bonds6

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole (PubChem CID 130351579) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
PubChem CID130351579
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6ccc54)c3)n2)cc1
InChIInChI=1S/C55H35N5/c1-4-15-36(16-5-1)53-56-54(37-17-6-2-7-18-37)58-55(57-53)41-19-14-22-43(34-41)60-49-26-13-11-24-47(49)52-44-30-27-38(33-40(44)29-32-50(52)60)39-28-31-46-45-23-10-12-25-48(45)59(51(46)35-39)42-20-8-3-9-21-42/h1-35H
InChIKeyWAOHPWAATQKGLH-UHFFFAOYSA-N
XLogP13.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[3-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916096
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;9-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159765258
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 130351139
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477284
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenanthren-3-ylbenzo[c]carbazole
CID 131979656
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160597833
9-[3-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109000
9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 167031844
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole (CID 130351579) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6ccc54)c3)n2)cc1.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole?
The InChIKey is WAOHPWAATQKGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-4-15-36(16-5-1)53-56-54(37-17-6-2-7-18-37)58-55(57-53)41-19-14-22-43(34-41)60-49-26-13-11-24-47(49)52-44-30-27-38(33-40(44)29-32-50(52)60)39-28-31-46-45-23-10-12-25-48(45)59(51(46)35-39)42-20-8-3-9-21-42/h1-35H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole is sourced from PubChem (CID 130351579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).