1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole

C39H28N2 — CID 126559999

IUPAC1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
SMILESCC1(c2ccccc2)C(c2ccccc2)=Nc2cc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3cc21
InChIInChI=1S/C39H28N2/c1-39(30-19-9-4-10-20-30)34-26-37-33(25-35(34)40-38(39)28-16-7-3-8-17-28)32-22-11-12-23-36(32)41(37)31-21-13-18-29(24-31)27-14-5-2-6-15-27/h2-26H,1H3
InChIKeyVNXYOEKLQXSTDP-UHFFFAOYSA-N
MW524.67 g/mol
LogP9.89
Rot. Bonds4

About 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole

1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole (PubChem CID 126559999) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
PubChem CID126559999
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
SMILESCC1(c2ccccc2)C(c2ccccc2)=Nc2cc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3cc21
InChIInChI=1S/C39H28N2/c1-39(30-19-9-4-10-20-30)34-26-37-33(25-35(34)40-38(39)28-16-7-3-8-17-28)32-22-11-12-23-36(32)41(37)31-21-13-18-29(24-31)27-14-5-2-6-15-27/h2-26H,1H3
InChIKeyVNXYOEKLQXSTDP-UHFFFAOYSA-N
XLogP9.89
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
CID 126561134
N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine
CID 126560392
1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
CID 126598422
9-[3,5-bis(3-phenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-carbazol-9-yl-5-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-(3,5-diphenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-(3,5-diphenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 158382365
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole?
The IUPAC name of 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole (CID 126559999) is 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole?
The canonical SMILES for 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole is CC1(c2ccccc2)C(c2ccccc2)=Nc2cc3c4ccccc4n(-c4cccc(-c5ccccc5)c4)c3cc21.
What is the InChIKey of 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole?
The InChIKey is VNXYOEKLQXSTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-39(30-19-9-4-10-20-30)34-26-37-33(25-35(34)40-38(39)28-16-7-3-8-17-28)32-22-11-12-23-36(32)41(37)31-21-13-18-29(24-31)27-14-5-2-6-15-27/h2-26H,1H3.
What are the key properties of 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole?
1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole has a molecular weight of 524.67 g/mol, XLogP of 9.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 126559999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).