3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole

C34H22N4 — CID 90062451

IUPAC3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ncc6ccccc6n5)cc4)c23)cc1
InChIInChI=1S/C34H22N4/c1-2-9-25(10-3-1)37-21-20-29-31(37)19-18-28-27-11-5-7-13-32(27)38(33(28)29)26-16-14-23(15-17-26)34-35-22-24-8-4-6-12-30(24)36-34/h1-22H
InChIKeyYOTJOXAICSVZDM-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.34
Rot. Bonds3

About 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole

3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole (PubChem CID 90062451) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
PubChem CID90062451
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ncc6ccccc6n5)cc4)c23)cc1
InChIInChI=1S/C34H22N4/c1-2-9-25(10-3-1)37-21-20-29-31(37)19-18-28-27-11-5-7-13-32(27)38(33(28)29)26-16-14-23(15-17-26)34-35-22-24-8-4-6-12-30(24)36-34/h1-22H
InChIKeyYOTJOXAICSVZDM-UHFFFAOYSA-N
XLogP8.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118317252
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-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 90223334
3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062504
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953
3-phenyl-17-quinolin-2-yl-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 90223726
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
17-phenyl-3-(4-pyridin-3-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 90223476
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
3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole
CID 118317666
17-phenyl-9-[4-(5-phenylpyrimidin-2-yl)phenyl]-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
CID 90223464

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole (CID 90062451) is 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole is c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5ncc6ccccc6n5)cc4)c23)cc1.
What is the InChIKey of 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole?
The InChIKey is YOTJOXAICSVZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-9-25(10-3-1)37-21-20-29-31(37)19-18-28-27-11-5-7-13-32(27)38(33(28)29)26-16-14-23(15-17-26)34-35-22-24-8-4-6-12-30(24)36-34/h1-22H.
What are the key properties of 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole?
3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole has a molecular weight of 486.58 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).