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

C45H27N5 — CID 152905214

IUPAC2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c2ccccc2c2cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc4ccccc34)ccc21
InChIInChI=1S/C45H27N5/c46-28-31-11-1-7-17-39(31)50-42-20-10-5-14-35(42)37-27-30(23-26-43(37)50)44-36-15-2-6-16-38(36)47-45(48-44)29-21-24-32(25-22-29)49-40-18-8-3-12-33(40)34-13-4-9-19-41(34)49/h1-27H
InChIKeyUGCKJIGEXAHVMW-UHFFFAOYSA-N
MW637.75 g/mol
LogP11.03
Rot. Bonds4

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

2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile (PubChem CID 152905214) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile
PubChem CID152905214
Molecular FormulaC45H27N5
Molecular Weight637.75 g/mol
Exact Mass637.23
IUPAC Name2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c2ccccc2c2cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc4ccccc34)ccc21
InChIInChI=1S/C45H27N5/c46-28-31-11-1-7-17-39(31)50-42-20-10-5-14-35(42)37-27-30(23-26-43(37)50)44-36-15-2-6-16-38(36)47-45(48-44)29-21-24-32(25-22-29)49-40-18-8-3-12-33(40)34-13-4-9-19-41(34)49/h1-27H
InChIKeyUGCKJIGEXAHVMW-UHFFFAOYSA-N
XLogP11.03
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.75
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-5-(2-phenylquinazolin-4-yl)benzonitrile
CID 170050439
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
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
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
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375454
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile (CID 152905214) is 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile is N#Cc1ccccc1-n1c2ccccc2c2cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc4ccccc34)ccc21.
What is the InChIKey of 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile?
The InChIKey is UGCKJIGEXAHVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c46-28-31-11-1-7-17-39(31)50-42-20-10-5-14-35(42)37-27-30(23-26-43(37)50)44-36-15-2-6-16-38(36)47-45(48-44)29-21-24-32(25-22-29)49-40-18-8-3-12-33(40)34-13-4-9-19-41(34)49/h1-27H.
What are the key properties of 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile?
2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile has a molecular weight of 637.75 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 152905214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).