10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole

C49H33N3 — CID 123851568

IUPAC10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccc(-c6ccccn6)cc5)cc4c4ccc5c(ccn5-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C49H33N3/c1-4-12-34(13-5-1)39-30-40(35-14-6-2-7-15-35)32-42(31-39)52-48-25-23-38(36-19-21-37(22-20-36)46-18-10-11-28-50-46)33-45(48)43-24-26-47-44(49(43)52)27-29-51(47)41-16-8-3-9-17-41/h1-33H
InChIKeyMVSIETFDCGAAMO-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.79
Rot. Bonds6

About 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole

10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole (PubChem CID 123851568) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole
PubChem CID123851568
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccc(-c6ccccn6)cc5)cc4c4ccc5c(ccn5-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C49H33N3/c1-4-12-34(13-5-1)39-30-40(35-14-6-2-7-15-35)32-42(31-39)52-48-25-23-38(36-19-21-37(22-20-36)46-18-10-11-28-50-46)33-45(48)43-24-26-47-44(49(43)52)27-29-51(47)41-16-8-3-9-17-41/h1-33H
InChIKeyMVSIETFDCGAAMO-UHFFFAOYSA-N
XLogP12.79
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole
CID 118317666
3,10-diphenyl-7-(5-phenylpyrazin-2-yl)pyrrolo[3,2-a]carbazole
CID 123618530
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183196
10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile
CID 118260329
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
CID 90267315
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267450
17-phenyl-3-(3-pyridin-4-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223481
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
CID 145110624

Frequently Asked Questions

What is the IUPAC name of 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole (CID 123851568) is 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccc(-c6ccccn6)cc5)cc4c4ccc5c(ccn5-c5ccccc5)c43)c2)cc1.
What is the InChIKey of 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The InChIKey is MVSIETFDCGAAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-4-12-34(13-5-1)39-30-40(35-14-6-2-7-15-35)32-42(31-39)52-48-25-23-38(36-19-21-37(22-20-36)46-18-10-11-28-50-46)33-45(48)43-24-26-47-44(49(43)52)27-29-51(47)41-16-8-3-9-17-41/h1-33H.
What are the key properties of 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole?
10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole has a molecular weight of 663.82 g/mol, XLogP of 12.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 123851568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).