9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole

C44H31N3 — CID 71175979

IUPAC9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=C(c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc2)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C44H31N3/c1-2-10-34(11-3-1)43-39-14-4-7-15-40(39)45-44(46-43)35-24-22-32(23-25-35)30-18-20-31(21-19-30)33-26-28-36(29-27-33)47-41-16-8-5-12-37(41)38-13-6-9-17-42(38)47/h1-26,28H,27,29H2
InChIKeyMHBAUTFQKLJQRP-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.46
Rot. Bonds5

About 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole

9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 71175979) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID71175979
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=C(c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc2)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C44H31N3/c1-2-10-34(11-3-1)43-39-14-4-7-15-40(39)45-44(46-43)35-24-22-32(23-25-35)30-18-20-31(21-19-30)33-26-28-36(29-27-33)47-41-16-8-5-12-37(41)38-13-6-9-17-42(38)47/h1-26,28H,27,29H2
InChIKeyMHBAUTFQKLJQRP-UHFFFAOYSA-N
XLogP11.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-1,3-dien-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163868967
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 130390595
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
11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
CID 129122934
5-(4-phenylphenyl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 135166213
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole (CID 71175979) is 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole is C1=C(c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc2)CCC(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is MHBAUTFQKLJQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-2-10-34(11-3-1)43-39-14-4-7-15-40(39)45-44(46-43)35-24-22-32(23-25-35)30-18-20-31(21-19-30)33-26-28-36(29-27-33)47-41-16-8-5-12-37(41)38-13-6-9-17-42(38)47/h1-26,28H,27,29H2.
What are the key properties of 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 601.75 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 71175979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).