4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol

C44H28N4O — CID 136980186

IUPAC4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
SMILESOc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C44H28N4O/c49-32-22-18-28(19-23-32)43-35-14-4-7-15-38(35)45-44(46-43)48-40-17-9-6-13-34(40)37-27-30(21-25-42(37)48)29-20-24-41-36(26-29)33-12-5-8-16-39(33)47(41)31-10-2-1-3-11-31/h1-27,49H
InChIKeyNSRXQFHMQZJKCI-UHFFFAOYSA-N
MW628.74 g/mol
LogP10.86
Rot. Bonds4

About 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol

4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol (PubChem CID 136980186) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
PubChem CID136980186
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
SMILESOc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C44H28N4O/c49-32-22-18-28(19-23-32)43-35-14-4-7-15-38(35)45-44(46-43)48-40-17-9-6-13-34(40)37-27-30(21-25-42(37)48)29-20-24-41-36(26-29)33-12-5-8-16-39(33)47(41)31-10-2-1-3-11-31/h1-27,49H
InChIKeyNSRXQFHMQZJKCI-UHFFFAOYSA-N
XLogP10.86
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 510.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
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-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
[9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-3-yl]boronic acid
CID 145381468
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-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 71109102
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole
CID 145257445

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol?
The IUPAC name of 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol (CID 136980186) is 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol.
What is the SMILES notation for 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol?
The canonical SMILES for 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol is Oc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol?
The InChIKey is NSRXQFHMQZJKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c49-32-22-18-28(19-23-32)43-35-14-4-7-15-38(35)45-44(46-43)48-40-17-9-6-13-34(40)37-27-30(21-25-42(37)48)29-20-24-41-36(26-29)33-12-5-8-16-39(33)47(41)31-10-2-1-3-11-31/h1-27,49H.
What are the key properties of 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol?
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol has a molecular weight of 628.74 g/mol, XLogP of 10.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol is sourced from PubChem (CID 136980186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).