5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole

C52H32N4 — CID 134552532

IUPAC5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)c7ccccc7n6)c45)ccc32)cc1
InChIInChI=1S/C52H32N4/c1-2-17-38(18-3-1)55-46-24-12-9-20-40(46)43-32-36(28-29-48(43)55)49-39-19-7-6-16-35(39)31-44-41-21-10-13-25-47(41)56(51(44)49)52-53-45-23-11-8-22-42(45)50(54-52)37-27-26-33-14-4-5-15-34(33)30-37/h1-32H
InChIKeyPMHJHDVRPAUQFA-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.46
Rot. Bonds4

About 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole

5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole (PubChem CID 134552532) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
PubChem CID134552532
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)c7ccccc7n6)c45)ccc32)cc1
InChIInChI=1S/C52H32N4/c1-2-17-38(18-3-1)55-46-24-12-9-20-40(46)43-32-36(28-29-48(43)55)49-39-19-7-6-16-35(39)31-44-41-21-10-13-25-47(41)56(51(44)49)52-53-45-23-11-8-22-42(45)50(54-52)37-27-26-33-14-4-5-15-34(33)30-37/h1-32H
InChIKeyPMHJHDVRPAUQFA-UHFFFAOYSA-N
XLogP13.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 134552523
6-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]-1-[4-[4-[3-[5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazol-6-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
CID 134556124
14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 134552537
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
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
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole
CID 134552473
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
14-[9-(4-phenylphenyl)carbazol-3-yl]-5-[9-(4-phenylphenyl)-7-[6-phenyl-2-[3-[4-[3-(6-phenylbenzo[b]carbazol-5-yl)carbazol-9-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]carbazol-2-yl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 134556019
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
12-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139361712
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole (CID 134552532) is 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)c7ccccc7n6)c45)ccc32)cc1.
What is the InChIKey of 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The InChIKey is PMHJHDVRPAUQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-17-38(18-3-1)55-46-24-12-9-20-40(46)43-32-36(28-29-48(43)55)49-39-19-7-6-16-35(39)31-44-41-21-10-13-25-47(41)56(51(44)49)52-53-45-23-11-8-22-42(45)50(54-52)37-27-26-33-14-4-5-15-34(33)30-37/h1-32H.
What are the key properties of 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole has a molecular weight of 712.86 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 134552532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).