9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole

C80H50N2 — CID 159520886

IUPAC9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cc3c4ccccc4c4ccccc4c3cc2c1.c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/2C40H25N/c1-3-13-32-30(11-1)31-12-2-4-14-33(31)38-25-36-27(24-37(32)38)10-9-17-29(36)26-20-22-28(23-21-26)41-39-18-7-5-15-34(39)35-16-6-8-19-40(35)41;1-2-12-29-27(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/h2*1-25H
InChIKeyMBTXXWPGMYIMPV-UHFFFAOYSA-N
MW1039.29 g/mol
LogP22.13
Rot. Bonds4

About 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole

9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole (PubChem CID 159520886) has the molecular formula C80H50N2 and a molecular weight of 1039.29 g/mol. Its IUPAC name is 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole
PubChem CID159520886
Molecular FormulaC80H50N2
Molecular Weight1039.29 g/mol
Exact Mass1038.40
IUPAC Name9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cc3c4ccccc4c4ccccc4c3cc2c1.c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/2C40H25N/c1-3-13-32-30(11-1)31-12-2-4-14-33(31)38-25-36-27(24-37(32)38)10-9-17-29(36)26-20-22-28(23-21-26)41-39-18-7-5-15-34(39)35-16-6-8-19-40(35)41;1-2-12-29-27(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/h2*1-25H
InChIKeyMBTXXWPGMYIMPV-UHFFFAOYSA-N
XLogP22.13
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.29
LogP ≤ 522.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
CID 126617968
9-[4-[3,6-bis(4-naphthalen-1-ylphenyl)benzo[b]triphenylen-10-yl]phenyl]carbazole
CID 126633133
7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole
CID 126633153
3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole
CID 126633217
9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole
CID 126633207
9-(4-benzo[b]triphenylen-9-ylphenyl)-3,6-ditert-butylcarbazole
CID 126633197
9-phenyl-3-[4-(10-phenylanthracen-1-yl)phenyl]carbazole
CID 141374936
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
9-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylen-10-yl]phenyl]carbazole
CID 126633149
9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole
CID 88868882
3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole
CID 58068217
9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole
CID 160946049

Frequently Asked Questions

What is the IUPAC name of 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole?
The IUPAC name of 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole (CID 159520886) is 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole.
What is the SMILES notation for 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole?
The canonical SMILES for 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole is c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cc3c4ccccc4c4ccccc4c3cc2c1.c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c4ccccc4c4ccccc4c3cc2c1.
What is the InChIKey of 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole?
The InChIKey is MBTXXWPGMYIMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H25N/c1-3-13-32-30(11-1)31-12-2-4-14-33(31)38-25-36-27(24-37(32)38)10-9-17-29(36)26-20-22-28(23-21-26)41-39-18-7-5-15-34(39)35-16-6-8-19-40(35)41;1-2-12-29-27(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/h2*1-25H.
What are the key properties of 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole?
9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole has a molecular weight of 1039.29 g/mol, XLogP of 22.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole is sourced from PubChem (CID 159520886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).