3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole

C44H29N3 — CID 144815931

IUPAC3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)ccc43)c2)cc1
InChIInChI=1S/C44H29N3/c1-3-12-30(13-4-1)31-14-11-17-33(28-31)46-41-20-9-8-19-36(41)39-29-34(22-24-43(39)46)47-42-21-10-7-18-35(42)37-23-25-40-38(44(37)47)26-27-45(40)32-15-5-2-6-16-32/h1-29H
InChIKeyRRDQMCCGQQBMLW-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.49
Rot. Bonds4

About 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole

3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole (PubChem CID 144815931) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
PubChem CID144815931
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)ccc43)c2)cc1
InChIInChI=1S/C44H29N3/c1-3-12-30(13-4-1)31-14-11-17-33(28-31)46-41-20-9-8-19-36(41)39-29-34(22-24-43(39)46)47-42-21-10-7-18-35(42)37-23-25-40-38(44(37)47)26-27-45(40)32-15-5-2-6-16-32/h1-29H
InChIKeyRRDQMCCGQQBMLW-UHFFFAOYSA-N
XLogP11.49
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
CID 144815944
10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
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
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
N-[4-(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-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118315497
N-[4-(10,19-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-decaen-14-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267399
14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,19-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 90267426

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole (CID 144815931) is 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(ccn7-c7ccccc7)c65)ccc43)c2)cc1.
What is the InChIKey of 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole?
The InChIKey is RRDQMCCGQQBMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-12-30(13-4-1)31-14-11-17-33(28-31)46-41-20-9-8-19-36(41)39-29-34(22-24-43(39)46)47-42-21-10-7-18-35(42)37-23-25-40-38(44(37)47)26-27-45(40)32-15-5-2-6-16-32/h1-29H.
What are the key properties of 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole?
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole has a molecular weight of 599.74 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 144815931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).