3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole

C44H28N4 — CID 146435061

IUPAC3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C44H28N4/c1-2-12-31(13-3-1)47-41-21-11-7-16-35(41)37-28-30(24-27-42(37)47)44-45-38-18-8-4-17-36(38)43(46-44)29-22-25-32(26-23-29)48-39-19-9-5-14-33(39)34-15-6-10-20-40(34)48/h1-28H
InChIKeyDENPKDOCBZXQNG-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

About 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole

3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole (PubChem CID 146435061) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
PubChem CID146435061
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C44H28N4/c1-2-12-31(13-3-1)47-41-21-11-7-16-35(41)37-28-30(24-27-42(37)47)44-45-38-18-8-4-17-36(38)43(46-44)29-22-25-32(26-23-29)48-39-19-9-5-14-33(39)34-15-6-10-20-40(34)48/h1-28H
InChIKeyDENPKDOCBZXQNG-UHFFFAOYSA-N
XLogP11.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
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-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
5-phenyl-11-[2-phenyl-5-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 138533187

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole (CID 146435061) is 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole?
The InChIKey is DENPKDOCBZXQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-2-12-31(13-3-1)47-41-21-11-7-16-35(41)37-28-30(24-27-42(37)47)44-45-38-18-8-4-17-36(38)43(46-44)29-22-25-32(26-23-29)48-39-19-9-5-14-33(39)34-15-6-10-20-40(34)48/h1-28H.
What are the key properties of 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole?
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole has a molecular weight of 612.74 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 146435061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).