3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole

C50H32N4 — CID 90095020

IUPAC3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H32N4/c1-3-13-33(14-4-1)34-23-25-35(26-24-34)49-41-19-7-10-20-44(41)51-50(52-49)54-46-22-12-9-18-40(46)43-32-37(28-30-48(43)54)36-27-29-47-42(31-36)39-17-8-11-21-45(39)53(47)38-15-5-2-6-16-38/h1-32H
InChIKeyWZAKMOUIQWRNOI-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole (PubChem CID 90095020) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
PubChem CID90095020
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H32N4/c1-3-13-33(14-4-1)34-23-25-35(26-24-34)49-41-19-7-10-20-44(41)51-50(52-49)54-46-22-12-9-18-40(46)43-32-37(28-30-48(43)54)36-27-29-47-42(31-36)39-17-8-11-21-45(39)53(47)38-15-5-2-6-16-38/h1-32H
InChIKeyWZAKMOUIQWRNOI-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole (CID 90095020) is 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole?
The InChIKey is WZAKMOUIQWRNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-13-33(14-4-1)34-23-25-35(26-24-34)49-41-19-7-10-20-44(41)51-50(52-49)54-46-22-12-9-18-40(46)43-32-37(28-30-48(43)54)36-27-29-47-42(31-36)39-17-8-11-21-45(39)53(47)38-15-5-2-6-16-38/h1-32H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole is sourced from PubChem (CID 90095020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).