1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole

C47H31N3 — CID 118317502

IUPAC1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c3n4-c3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C47H31N3/c1-5-15-32(16-6-1)42-31-49(36-20-9-3-10-21-36)46-40(42)27-26-39-41-29-35(25-28-44(41)50(47(39)46)37-22-11-4-12-23-37)43-30-34-19-13-14-24-38(34)45(48-43)33-17-7-2-8-18-33/h1-31H
InChIKeyQYOBYZUIHSEOTA-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

About 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole

1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole (PubChem CID 118317502) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole
PubChem CID118317502
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c3n4-c3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C47H31N3/c1-5-15-32(16-6-1)42-31-49(36-20-9-3-10-21-36)46-40(42)27-26-39-41-29-35(25-28-44(41)50(47(39)46)37-22-11-4-12-23-37)43-30-34-19-13-14-24-38(34)45(48-43)33-17-7-2-8-18-33/h1-31H
InChIKeyQYOBYZUIHSEOTA-UHFFFAOYSA-N
XLogP12.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
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
12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 58142311
1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315801
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
7-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723983

Frequently Asked Questions

What is the IUPAC name of 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole?
The IUPAC name of 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole (CID 118317502) is 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c3n4-c3ccccc3)cc3ccccc23)cc1.
What is the InChIKey of 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole?
The InChIKey is QYOBYZUIHSEOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-5-15-32(16-6-1)42-31-49(36-20-9-3-10-21-36)46-40(42)27-26-39-41-29-35(25-28-44(41)50(47(39)46)37-22-11-4-12-23-37)43-30-34-19-13-14-24-38(34)45(48-43)33-17-7-2-8-18-33/h1-31H.
What are the key properties of 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole?
1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole has a molecular weight of 637.79 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118317502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).