1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole

C27H17N5 — CID 90062530

IUPAC1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5ncc6cnccc6n5)c4cc32)cc1
InChIInChI=1S/C27H17N5/c1-2-6-20(7-3-1)31-13-11-18-14-22-21-8-4-5-9-24(21)32(26(22)15-25(18)31)27-29-17-19-16-28-12-10-23(19)30-27/h1-17H
InChIKeyHPAKSUCFSFXDOH-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.07
Rot. Bonds2

About 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole

1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole (PubChem CID 90062530) has the molecular formula C27H17N5 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole
PubChem CID90062530
Molecular FormulaC27H17N5
Molecular Weight411.47 g/mol
Exact Mass411.15
IUPAC Name1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5ncc6cnccc6n5)c4cc32)cc1
InChIInChI=1S/C27H17N5/c1-2-6-20(7-3-1)31-13-11-18-14-22-21-8-4-5-9-24(21)32(26(22)15-25(18)31)27-29-17-19-16-28-12-10-23(19)30-27/h1-17H
InChIKeyHPAKSUCFSFXDOH-UHFFFAOYSA-N
XLogP6.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
CID 90062529
1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole
CID 90062799
3-phenyl-9-quinazolin-2-ylpyrrolo[3,2-b]carbazole
CID 90062396
3-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-b]carbazole
CID 118317283
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
3-phenyl-9-[2-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)pyrimidin-4-yl]pyrrolo[3,2-b]carbazole
CID 90091165
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
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
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
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
16-phenyl-10-(3-pyridin-4-ylphenyl)-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223553
18-phenyl-10-(3-pyridin-4-ylphenyl)-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 90222805

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole?
The IUPAC name of 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole (CID 90062530) is 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole is c1ccc(-n2ccc3cc4c5ccccc5n(-c5ncc6cnccc6n5)c4cc32)cc1.
What is the InChIKey of 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole?
The InChIKey is HPAKSUCFSFXDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5/c1-2-6-20(7-3-1)31-13-11-18-14-22-21-8-4-5-9-24(21)32(26(22)15-25(18)31)27-29-17-19-16-28-12-10-23(19)30-27/h1-17H.
What are the key properties of 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole?
1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole has a molecular weight of 411.47 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 90062530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).