9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole

C40H25N — CID 126617968

IUPAC9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/C40H25N/c1-2-12-29-27(11-1)25-36-32-15-4-3-13-30(32)31-14-5-6-18-35(31)40(36)39(29)26-21-23-28(24-22-26)41-37-19-9-7-16-33(37)34-17-8-10-20-38(34)41/h1-25H
InChIKeyORDKBPKFFPUPCZ-UHFFFAOYSA-N
MW519.65 g/mol
LogP11.06
Rot. Bonds2

About 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole

9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole (PubChem CID 126617968) has the molecular formula C40H25N and a molecular weight of 519.65 g/mol. Its IUPAC name is 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole
PubChem CID126617968
Molecular FormulaC40H25N
Molecular Weight519.65 g/mol
Exact Mass519.20
IUPAC Name9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/C40H25N/c1-2-12-29-27(11-1)25-36-32-15-4-3-13-30(32)31-14-5-6-18-35(31)40(36)39(29)26-21-23-28(24-22-26)41-37-19-9-7-16-33(37)34-17-8-10-20-38(34)41/h1-25H
InChIKeyORDKBPKFFPUPCZ-UHFFFAOYSA-N
XLogP11.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole
CID 159520886
3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole
CID 126633217
9-(4-benzo[b]triphenylen-9-ylphenyl)-3,6-ditert-butylcarbazole
CID 126633197
9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole
CID 126633207
8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole
CID 164740424
9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 58879515
6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole
CID 121287357

Frequently Asked Questions

What is the IUPAC name of 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole?
The IUPAC name of 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole (CID 126617968) is 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole.
What is the SMILES notation for 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole?
The canonical SMILES for 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole is c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c4ccccc4c3cc2c1.
What is the InChIKey of 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole?
The InChIKey is ORDKBPKFFPUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N/c1-2-12-29-27(11-1)25-36-32-15-4-3-13-30(32)31-14-5-6-18-35(31)40(36)39(29)26-21-23-28(24-22-26)41-37-19-9-7-16-33(37)34-17-8-10-20-38(34)41/h1-25H.
What are the key properties of 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole?
9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole has a molecular weight of 519.65 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole is sourced from PubChem (CID 126617968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).