5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole

C37H26N2 — CID 144650193

IUPAC5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)C=CC1
InChIInChI=1S/C37H26N2/c1-4-12-28(13-5-1)38-35-18-9-3-8-16-31(35)33-24-26(21-23-36(33)38)27-20-22-32-30-17-10-11-19-34(30)39(37(32)25-27)29-14-6-2-7-15-29/h1-2,4-25H,3H2
InChIKeyTVMWKIKKCIOHFH-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.82
Rot. Bonds3

About 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole

5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole (PubChem CID 144650193) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole.

Molecular Properties

Compound Name5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
PubChem CID144650193
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)C=CC1
InChIInChI=1S/C37H26N2/c1-4-12-28(13-5-1)38-35-18-9-3-8-16-31(35)33-24-26(21-23-36(33)38)27-20-22-32-30-17-10-11-19-34(30)39(37(32)25-27)29-14-6-2-7-15-29/h1-2,4-25H,3H2
InChIKeyTVMWKIKKCIOHFH-UHFFFAOYSA-N
XLogP9.82
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-2-[9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-8H-cyclohepta[b]indole
CID 163640688
15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene
CID 146246041
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
2-bromo-5-phenyl-8H-cyclohepta[b]indole
CID 144976450
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole?
The IUPAC name of 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole (CID 144650193) is 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole.
What is the SMILES notation for 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole?
The canonical SMILES for 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole is C1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)C=CC1.
What is the InChIKey of 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole?
The InChIKey is TVMWKIKKCIOHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-4-12-28(13-5-1)38-35-18-9-3-8-16-31(35)33-24-26(21-23-36(33)38)27-20-22-32-30-17-10-11-19-34(30)39(37(32)25-27)29-14-6-2-7-15-29/h1-2,4-25H,3H2.
What are the key properties of 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole?
5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole has a molecular weight of 498.63 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole is sourced from PubChem (CID 144650193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).