5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole

C49H35N3 — CID 170372142

IUPAC5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc3c2c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)CCC1
InChIInChI=1S/C49H35N3/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)50-42-21-10-7-18-39(42)40-31-30-36(32-48(40)50)51-45-23-12-9-19-41(45)49-46(51)24-13-25-47(49)52-43-20-6-2-5-16-37(43)38-17-8-11-22-44(38)52/h1,3-4,6-15,17-32H,2,5,16H2
InChIKeyVQZRFAPGSBGHDT-UHFFFAOYSA-N
MW665.84 g/mol
LogP12.84
Rot. Bonds4

About 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole

5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole (PubChem CID 170372142) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole.

Molecular Properties

Compound Name5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole
PubChem CID170372142
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc3c2c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)CCC1
InChIInChI=1S/C49H35N3/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)50-42-21-10-7-18-39(42)40-31-30-36(32-48(40)50)51-45-23-12-9-19-41(45)49-46(51)24-13-25-47(49)52-43-20-6-2-5-16-37(43)38-17-8-11-22-44(38)52/h1,3-4,6-15,17-32H,2,5,16H2
InChIKeyVQZRFAPGSBGHDT-UHFFFAOYSA-N
XLogP12.84
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165075312
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
6-carbazol-9-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9,14-triphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 157256630

Frequently Asked Questions

What is the IUPAC name of 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole?
The IUPAC name of 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole (CID 170372142) is 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole.
What is the SMILES notation for 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole?
The canonical SMILES for 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole is C1=Cc2c(c3ccccc3n2-c2cccc3c2c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)CCC1.
What is the InChIKey of 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole?
The InChIKey is VQZRFAPGSBGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)50-42-21-10-7-18-39(42)40-31-30-36(32-48(40)50)51-45-23-12-9-19-41(45)49-46(51)24-13-25-47(49)52-43-20-6-2-5-16-37(43)38-17-8-11-22-44(38)52/h1,3-4,6-15,17-32H,2,5,16H2.
What are the key properties of 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole?
5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole has a molecular weight of 665.84 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-9,10-dihydro-8H-cyclohepta[b]indole is sourced from PubChem (CID 170372142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).