1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole

C56H37N3 — CID 118315801

IUPAC1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc(-n3c4ccccc4c4ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C56H37N3/c1-5-17-38(18-6-1)41-29-30-48-46-25-13-15-27-52(46)58(54(48)35-41)44-33-42(39-19-7-2-8-20-39)34-45(36-44)59-53-28-16-14-26-47(53)49-31-32-50-51(40-21-9-3-10-22-40)37-57(55(50)56(49)59)43-23-11-4-12-24-43/h1-37H
InChIKeySGSKOPNYHHZFEP-UHFFFAOYSA-N
MW751.93 g/mol
LogP14.83
Rot. Bonds6

About 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole

1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole (PubChem CID 118315801) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
PubChem CID118315801
Molecular FormulaC56H37N3
Molecular Weight751.93 g/mol
Exact Mass751.30
IUPAC Name1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc(-n3c4ccccc4c4ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C56H37N3/c1-5-17-38(18-6-1)41-29-30-48-46-25-13-15-27-52(46)58(54(48)35-41)44-33-42(39-19-7-2-8-20-39)34-45(36-44)59-53-28-16-14-26-47(53)49-31-32-50-51(40-21-9-3-10-22-40)37-57(55(50)56(49)59)43-23-11-4-12-24-43/h1-37H
InChIKeySGSKOPNYHHZFEP-UHFFFAOYSA-N
XLogP14.83
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118315743
N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 118315805
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
7-phenyl-5-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-b]carbazole
CID 166592002
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole (CID 118315801) is 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cc(-n3c4ccccc4c4ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c43)c2)cc1.
What is the InChIKey of 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The InChIKey is SGSKOPNYHHZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-5-17-38(18-6-1)41-29-30-48-46-25-13-15-27-52(46)58(54(48)35-41)44-33-42(39-19-7-2-8-20-39)34-45(36-44)59-53-28-16-14-26-47(53)49-31-32-50-51(40-21-9-3-10-22-40)37-57(55(50)56(49)59)43-23-11-4-12-24-43/h1-37H.
What are the key properties of 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole has a molecular weight of 751.93 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118315801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).