3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole

C40H26N4 — CID 90062504

IUPAC3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)c3)nc3ccccc23)cc1
InChIInChI=1S/C40H26N4/c1-3-12-27(13-4-1)38-33-19-7-9-20-35(33)41-40(42-38)28-14-11-17-30(26-28)44-37-21-10-8-18-31(37)32-22-23-36-34(39(32)44)24-25-43(36)29-15-5-2-6-16-29/h1-26H
InChIKeyNYKUVIVWYVOMIE-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole

3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole (PubChem CID 90062504) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
PubChem CID90062504
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)c3)nc3ccccc23)cc1
InChIInChI=1S/C40H26N4/c1-3-12-27(13-4-1)38-33-19-7-9-20-35(33)41-40(42-38)28-14-11-17-30(26-28)44-37-21-10-8-18-31(37)32-22-23-36-34(39(32)44)24-25-43(36)29-15-5-2-6-16-29/h1-26H
InChIKeyNYKUVIVWYVOMIE-UHFFFAOYSA-N
XLogP10.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90130566
9,17-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9,17,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267302
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
2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375421
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18-diphenyl-9,18,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene
CID 90267290
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole
CID 118317666
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole (CID 90062504) is 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)c3)nc3ccccc23)cc1.
What is the InChIKey of 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
The InChIKey is NYKUVIVWYVOMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-12-27(13-4-1)38-33-19-7-9-20-35(33)41-40(42-38)28-14-11-17-30(26-28)44-37-21-10-8-18-31(37)32-22-23-36-34(39(32)44)24-25-43(36)29-15-5-2-6-16-29/h1-26H.
What are the key properties of 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole?
3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole has a molecular weight of 562.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).