1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole

C28H18N4 — CID 90062529

IUPAC1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5ncc6ccccc6n5)c4cc32)cc1
InChIInChI=1S/C28H18N4/c1-2-9-21(10-3-1)31-15-14-19-16-23-22-11-5-7-13-25(22)32(27(23)17-26(19)31)28-29-18-20-8-4-6-12-24(20)30-28/h1-18H
InChIKeyRUABQIXFROHZMZ-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.67
Rot. Bonds2

About 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole

1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole (PubChem CID 90062529) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
PubChem CID90062529
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5ncc6ccccc6n5)c4cc32)cc1
InChIInChI=1S/C28H18N4/c1-2-9-21(10-3-1)31-15-14-19-16-23-22-11-5-7-13-25(22)32(27(23)17-26(19)31)28-29-18-20-8-4-6-12-24(20)30-28/h1-18H
InChIKeyRUABQIXFROHZMZ-UHFFFAOYSA-N
XLogP6.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-9-quinazolin-2-ylpyrrolo[3,2-b]carbazole
CID 90062396
1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole
CID 90062530
12-phenyl-16-quinazolin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465151
10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
18-phenyl-10-(5-phenylpyrimidin-2-yl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222785
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
18-phenyl-10-quinolin-2-yl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222786
3-phenyl-9-[2-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)pyrimidin-4-yl]pyrrolo[3,2-b]carbazole
CID 90091165
7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole
CID 138623613
1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole
CID 90062799
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole?
The IUPAC name of 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole (CID 90062529) is 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole is c1ccc(-n2ccc3cc4c5ccccc5n(-c5ncc6ccccc6n5)c4cc32)cc1.
What is the InChIKey of 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole?
The InChIKey is RUABQIXFROHZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-2-9-21(10-3-1)31-15-14-19-16-23-22-11-5-7-13-25(22)32(27(23)17-26(19)31)28-29-18-20-8-4-6-12-24(20)30-28/h1-18H.
What are the key properties of 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole?
1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole has a molecular weight of 410.48 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 90062529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).