8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole

C40H30N2 — CID 139540524

IUPAC8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole
SMILESC=CC1(C)C=Cc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c3ccccc23)C=C1
InChIInChI=1S/C40H30N2/c1-3-40(2)24-22-34-32-16-7-9-18-36(32)42(39(34)23-25-40)31-20-21-38-35(27-31)33-17-8-10-19-37(33)41(38)30-15-11-14-29(26-30)28-12-5-4-6-13-28/h3-27H,1H2,2H3
InChIKeySRBCEOQPQPUKHI-UHFFFAOYSA-N
MW538.69 g/mol
LogP10.63
Rot. Bonds4

About 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole

8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole (PubChem CID 139540524) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole.

Molecular Properties

Compound Name8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole
PubChem CID139540524
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole
SMILESC=CC1(C)C=Cc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c3ccccc23)C=C1
InChIInChI=1S/C40H30N2/c1-3-40(2)24-22-34-32-16-7-9-18-36(32)42(39(34)23-25-40)31-20-21-38-35(27-31)33-17-8-10-19-37(33)41(38)30-15-11-14-29(26-30)28-12-5-4-6-13-28/h3-27H,1H2,2H3
InChIKeySRBCEOQPQPUKHI-UHFFFAOYSA-N
XLogP10.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158665027
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole?
The IUPAC name of 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole (CID 139540524) is 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole.
What is the SMILES notation for 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole?
The canonical SMILES for 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole is C=CC1(C)C=Cc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c3ccccc23)C=C1.
What is the InChIKey of 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole?
The InChIKey is SRBCEOQPQPUKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-3-40(2)24-22-34-32-16-7-9-18-36(32)42(39(34)23-25-40)31-20-21-38-35(27-31)33-17-8-10-19-37(33)41(38)30-15-11-14-29(26-30)28-12-5-4-6-13-28/h3-27H,1H2,2H3.
What are the key properties of 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole?
8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole has a molecular weight of 538.69 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-8-methyl-5-[9-(3-phenylphenyl)carbazol-3-yl]cyclohepta[b]indole is sourced from PubChem (CID 139540524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).