3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole

C36H27BrN2 — CID 144830981

IUPAC3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole
SMILESBrC1=CC=CC2C1C1=CC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)CC=C1N2c1ccccc1
InChIInChI=1S/C36H27BrN2/c37-31-15-9-17-35-36(31)30-23-25(19-21-34(30)39(35)27-12-5-2-6-13-27)24-18-20-33-29(22-24)28-14-7-8-16-32(28)38(33)26-10-3-1-4-11-26/h1-18,20-23,25,35-36H,19H2
InChIKeyKUEMZOCPGHHBID-UHFFFAOYSA-N
MW567.53 g/mol
LogP9.43
Rot. Bonds3

About 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole

3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole (PubChem CID 144830981) has the molecular formula C36H27BrN2 and a molecular weight of 567.53 g/mol. Its IUPAC name is 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole
PubChem CID144830981
Molecular FormulaC36H27BrN2
Molecular Weight567.53 g/mol
Exact Mass566.14
IUPAC Name3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole
SMILESBrC1=CC=CC2C1C1=CC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)CC=C1N2c1ccccc1
InChIInChI=1S/C36H27BrN2/c37-31-15-9-17-35-36(31)30-23-25(19-21-34(30)39(35)27-12-5-2-6-13-27)24-18-20-33-29(22-24)28-14-7-8-16-32(28)38(33)26-10-3-1-4-11-26/h1-18,20-23,25,35-36H,19H2
InChIKeyKUEMZOCPGHHBID-UHFFFAOYSA-N
XLogP9.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.53
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole
CID 126590305
3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 144573357
9-(2,5-dihydro-1H-pyrrol-3-yl)-3-(9-triphenylen-2-yl-2,3,4b,7,8,8a-hexahydrocarbazol-3-yl)carbazole
CID 167154490
1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
CID 174277781
3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
CID 145156378
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole
CID 142347158
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
CID 123198502
9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 129310423
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole
CID 123309250
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole (CID 144830981) is 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole is BrC1=CC=CC2C1C1=CC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)CC=C1N2c1ccccc1.
What is the InChIKey of 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is KUEMZOCPGHHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27BrN2/c37-31-15-9-17-35-36(31)30-23-25(19-21-34(30)39(35)27-12-5-2-6-13-27)24-18-20-33-29(22-24)28-14-7-8-16-32(28)38(33)26-10-3-1-4-11-26/h1-18,20-23,25,35-36H,19H2.
What are the key properties of 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole?
3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 567.53 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-9-phenyl-2,3,4b,8a-tetrahydrocarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 144830981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).