1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole

C35H23N3 — CID 123457400

IUPAC1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccc(-c6cncc7ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C35H23N3/c1-2-9-28(10-3-1)38-33-13-7-6-12-30(33)31-19-16-25-20-21-37(34(25)35(31)38)27-17-14-24(15-18-27)32-23-36-22-26-8-4-5-11-29(26)32/h1-23H
InChIKeyNAXFBPDPHXTBBR-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.94
Rot. Bonds3

About 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole

1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole (PubChem CID 123457400) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
PubChem CID123457400
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccc(-c6cncc7ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C35H23N3/c1-2-9-28(10-3-1)38-33-13-7-6-12-30(33)31-19-16-25-20-21-37(34(25)35(31)38)27-17-14-24(15-18-27)32-23-36-22-26-8-4-5-11-29(26)32/h1-23H
InChIKeyNAXFBPDPHXTBBR-UHFFFAOYSA-N
XLogP8.94
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223369
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062413
1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118317252
3-(4-isoquinolin-4-ylphenyl)-6-phenylpyrrolo[2,3-c]carbazole
CID 123386659
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007
1-(3,5-diphenylphenyl)-10-[4-[4-[1-(3,5-diphenylphenyl)pyrrolo[2,3-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[2,3-a]carbazole
CID 90090913
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90090897
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole?
The IUPAC name of 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole (CID 123457400) is 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole?
The canonical SMILES for 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccc(-c6cncc7ccccc67)cc5)c4c32)cc1.
What is the InChIKey of 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole?
The InChIKey is NAXFBPDPHXTBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-2-9-28(10-3-1)38-33-13-7-6-12-30(33)31-19-16-25-20-21-37(34(25)35(31)38)27-17-14-24(15-18-27)32-23-36-22-26-8-4-5-11-29(26)32/h1-23H.
What are the key properties of 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole?
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole has a molecular weight of 485.59 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole is sourced from PubChem (CID 123457400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).