2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole

C55H35N5 — CID 90129224

IUPAC2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)nc5ccccc45)cc3)nc2)cc1
InChIInChI=1S/C55H35N5/c1-3-13-36(14-4-1)41-28-31-48(56-35-41)37-23-25-38(26-24-37)54-46-19-7-10-20-49(46)57-55(58-54)60-51-22-12-8-17-43(51)45-30-27-40(34-53(45)60)39-29-32-52-47(33-39)44-18-9-11-21-50(44)59(52)42-15-5-2-6-16-42/h1-35H
InChIKeyJYLDLRARHPIZKE-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.89
Rot. Bonds6

About 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole

2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole (PubChem CID 90129224) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole
PubChem CID90129224
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)nc5ccccc45)cc3)nc2)cc1
InChIInChI=1S/C55H35N5/c1-3-13-36(14-4-1)41-28-31-48(56-35-41)37-23-25-38(26-24-37)54-46-19-7-10-20-49(46)57-55(58-54)60-51-22-12-8-17-43(51)45-30-27-40(34-53(45)60)39-29-32-52-47(33-39)44-18-9-11-21-50(44)59(52)42-15-5-2-6-16-42/h1-35H
InChIKeyJYLDLRARHPIZKE-UHFFFAOYSA-N
XLogP13.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
7-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]pyrido[2,3-b]indole
CID 157399760
9-(2,6-diphenylpyrimidin-4-yl)-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indole
CID 160975537
3-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indole
CID 161354836
5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylquinazolin-2-yl)pyrido[3,2-b]indole
CID 157146285

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole (CID 90129224) is 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)nc5ccccc45)cc3)nc2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole?
The InChIKey is JYLDLRARHPIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-3-13-36(14-4-1)41-28-31-48(56-35-41)37-23-25-38(26-24-37)54-46-19-7-10-20-49(46)57-55(58-54)60-51-22-12-8-17-43(51)45-30-27-40(34-53(45)60)39-29-32-52-47(33-39)44-18-9-11-21-50(44)59(52)42-15-5-2-6-16-42/h1-35H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole?
2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole is sourced from PubChem (CID 90129224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).