5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole

C41H25N5 — CID 158468134

IUPAC5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5cccnc5n4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C41H25N5/c1-2-13-29(14-3-1)45-35-18-8-6-15-30(35)33-24-28(20-21-37(33)45)39-43-40-32(17-10-22-42-40)41(44-39)46-36-19-9-7-16-31(36)34-23-26-11-4-5-12-27(26)25-38(34)46/h1-25H/i1D,2D,3D,13D,14D
InChIKeyNMMQRGCGULQPGM-NDWIIPQNSA-N
MW592.72 g/mol
LogP10.04
Rot. Bonds3

About 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole

5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole (PubChem CID 158468134) has the molecular formula C41H25N5 and a molecular weight of 592.72 g/mol. Its IUPAC name is 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
PubChem CID158468134
Molecular FormulaC41H25N5
Molecular Weight592.72 g/mol
Exact Mass592.24
IUPAC Name5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5cccnc5n4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C41H25N5/c1-2-13-29(14-3-1)45-35-18-8-6-15-30(35)33-24-28(20-21-37(33)45)39-43-40-32(17-10-22-42-40)41(44-39)46-36-19-9-7-16-31(36)34-23-26-11-4-5-12-27(26)25-38(34)46/h1-25H/i1D,2D,3D,13D,14D
InChIKeyNMMQRGCGULQPGM-NDWIIPQNSA-N
XLogP10.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.72
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]-1-phenylbenzo[b]carbazole;1-phenanthren-2-yl-5-[2-(7-phenylbenzo[g]carbazol-9-yl)quinazolin-4-yl]benzo[b]carbazole;2-phenyl-5-[2-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole
CID 158064906
5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 139362366
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 172513412
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
CID 139361389
9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 158541429
5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole
CID 158424109
7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 162424953
4-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 137433879
5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
CID 146181776

Frequently Asked Questions

What is the IUPAC name of 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole (CID 158468134) is 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5cccnc5n4)ccc32)c([2H])c1[2H].
What is the InChIKey of 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole?
The InChIKey is NMMQRGCGULQPGM-NDWIIPQNSA-N. The full InChI is InChI=1S/C41H25N5/c1-2-13-29(14-3-1)45-35-18-8-6-15-30(35)33-24-28(20-21-37(33)45)39-43-40-32(17-10-22-42-40)41(44-39)46-36-19-9-7-16-31(36)34-23-26-11-4-5-12-27(26)25-38(34)46/h1-25H/i1D,2D,3D,13D,14D.
What are the key properties of 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole?
5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole has a molecular weight of 592.72 g/mol, XLogP of 10.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]pyrido[2,3-d]pyrimidin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 158468134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).