5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole

C55H40N2 — CID 144884820

IUPAC5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole
SMILESC1=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c2c(c3ccccc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CCC1
InChIInChI=1S/C55H40N2/c1-4-16-38(17-5-1)41-28-31-45(32-29-41)56-52-26-14-13-24-49(52)51-37-42(30-33-54(51)56)47-22-10-11-25-50-48-23-12-15-27-53(48)57(55(47)50)46-35-43(39-18-6-2-7-19-39)34-44(36-46)40-20-8-3-9-21-40/h1-9,12-24,26-37H,10-11,25H2
InChIKeyDPHVDPUCZSHXMN-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.50
Rot. Bonds6

About 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole

5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole (PubChem CID 144884820) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole
PubChem CID144884820
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole
SMILESC1=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c2c(c3ccccc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CCC1
InChIInChI=1S/C55H40N2/c1-4-16-38(17-5-1)41-28-31-45(32-29-41)56-52-26-14-13-24-49(52)51-37-42(30-33-54(51)56)47-22-10-11-25-50-48-23-12-15-27-53(48)57(55(47)50)46-35-43(39-18-6-2-7-19-39)34-44(36-46)40-20-8-3-9-21-40/h1-9,12-24,26-37H,10-11,25H2
InChIKeyDPHVDPUCZSHXMN-UHFFFAOYSA-N
XLogP14.50
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole?
The IUPAC name of 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole (CID 144884820) is 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole.
What is the SMILES notation for 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole?
The canonical SMILES for 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole is C1=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c2c(c3ccccc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CCC1.
What is the InChIKey of 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole?
The InChIKey is DPHVDPUCZSHXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-4-16-38(17-5-1)41-28-31-45(32-29-41)56-52-26-14-13-24-49(52)51-37-42(30-33-54(51)56)47-22-10-11-25-50-48-23-12-15-27-53(48)57(55(47)50)46-35-43(39-18-6-2-7-19-39)34-44(36-46)40-20-8-3-9-21-40/h1-9,12-24,26-37H,10-11,25H2.
What are the key properties of 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole?
5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole has a molecular weight of 728.94 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]-9,10-dihydro-8H-cyclohepta[b]indole is sourced from PubChem (CID 144884820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).