5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole

C58H36N4 — CID 142474116

IUPAC5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cc8ccccc8cc7n(-c7nc(-c8cccc9ccccc89)c8ccccc8n7)c6c5)ccc43)cc2)cc1
InChIInChI=1S/C58H36N4/c1-2-13-37(14-3-1)38-25-29-44(30-26-38)61-53-24-11-9-20-46(53)50-34-42(28-32-54(50)61)43-27-31-47-51-33-40-16-4-5-17-41(40)35-56(51)62(55(47)36-43)58-59-52-23-10-8-21-49(52)57(60-58)48-22-12-18-39-15-6-7-19-45(39)48/h1-36H
InChIKeyQQTNIMVOBMKYKP-UHFFFAOYSA-N
MW788.95 g/mol
LogP15.13
Rot. Bonds5

About 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole

5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole (PubChem CID 142474116) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
PubChem CID142474116
Molecular FormulaC58H36N4
Molecular Weight788.95 g/mol
Exact Mass788.29
IUPAC Name5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cc8ccccc8cc7n(-c7nc(-c8cccc9ccccc89)c8ccccc8n7)c6c5)ccc43)cc2)cc1
InChIInChI=1S/C58H36N4/c1-2-13-37(14-3-1)38-25-29-44(30-26-38)61-53-24-11-9-20-46(53)50-34-42(28-32-54(50)61)43-27-31-47-51-33-40-16-4-5-17-41(40)35-56(51)62(55(47)36-43)58-59-52-23-10-8-21-49(52)57(60-58)48-22-12-18-39-15-6-7-19-45(39)48/h1-36H
InChIKeyQQTNIMVOBMKYKP-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

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
2-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130325936
3-[9-(4-dibenzothiophen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 165104887
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
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-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375622

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole?
The IUPAC name of 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole (CID 142474116) is 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cc8ccccc8cc7n(-c7nc(-c8cccc9ccccc89)c8ccccc8n7)c6c5)ccc43)cc2)cc1.
What is the InChIKey of 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole?
The InChIKey is QQTNIMVOBMKYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-2-13-37(14-3-1)38-25-29-44(30-26-38)61-53-24-11-9-20-46(53)50-34-42(28-32-54(50)61)43-27-31-47-51-33-40-16-4-5-17-41(40)35-56(51)62(55(47)36-43)58-59-52-23-10-8-21-49(52)57(60-58)48-22-12-18-39-15-6-7-19-45(39)48/h1-36H.
What are the key properties of 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole?
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]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 5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole is sourced from PubChem (CID 142474116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).