7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole

C58H36N4 — CID 118637738

IUPAC7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6cc(-c7cc8c(c9ccccc79)c7ccccc7n8-c7ccccc7)ccc65)nc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C58H36N4/c1-3-15-37(16-4-1)38-27-28-40-34-42(30-29-39(40)33-38)57-47-22-9-12-24-51(47)59-58(60-57)62-52-25-13-10-20-45(52)50-35-41(31-32-54(50)62)49-36-55-56(46-21-8-7-19-44(46)49)48-23-11-14-26-53(48)61(55)43-17-5-2-6-18-43/h1-36H
InChIKeyYXMZKDMYWLFMIN-UHFFFAOYSA-N
MW788.95 g/mol
LogP15.13
Rot. Bonds5

About 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole

7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole (PubChem CID 118637738) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
PubChem CID118637738
Molecular FormulaC58H36N4
Molecular Weight788.95 g/mol
Exact Mass788.29
IUPAC Name7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6cc(-c7cc8c(c9ccccc79)c7ccccc7n8-c7ccccc7)ccc65)nc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C58H36N4/c1-3-15-37(16-4-1)38-27-28-40-34-42(30-29-39(40)33-38)57-47-22-9-12-24-51(47)59-58(60-57)62-52-25-13-10-20-45(52)50-35-41(31-32-54(50)62)49-36-55-56(46-21-8-7-19-44(46)49)48-23-11-14-26-53(48)61(55)43-17-5-2-6-18-43/h1-36H
InChIKeyYXMZKDMYWLFMIN-UHFFFAOYSA-N
XLogP15.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.95
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
5-phenyl-30-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603560
7-[4-(6,9-diphenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
CID 158696637
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
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
5-[11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-7-phenylbenzo[c]carbazole;5-(7-phenylbenzo[c]carbazol-5-yl)-11-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[a]carbazole
CID 158169302
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
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
7-[4-[2-[(1Z)-buta-1,3-dienyl]-5-phenylphenyl]quinazolin-2-yl]-5-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 118637774

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole?
The IUPAC name of 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole (CID 118637738) is 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole is c1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6cc(-c7cc8c(c9ccccc79)c7ccccc7n8-c7ccccc7)ccc65)nc5ccccc45)ccc3c2)cc1.
What is the InChIKey of 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole?
The InChIKey is YXMZKDMYWLFMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-3-15-37(16-4-1)38-27-28-40-34-42(30-29-39(40)33-38)57-47-22-9-12-24-51(47)59-58(60-57)62-52-25-13-10-20-45(52)50-35-41(31-32-54(50)62)49-36-55-56(46-21-8-7-19-44(46)49)48-23-11-14-26-53(48)61(55)43-17-5-2-6-18-43/h1-36H.
What are the key properties of 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole?
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole has a molecular weight of 788.95 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 118637738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).