9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole

C56H34N4 — CID 155114360

IUPAC9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole
SMILESc1ccc2cc(-c3nc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccc7ccccc7c6)ccc5c5ccc6ccccc6c54)nc4ccccc34)ccc2c1
InChIInChI=1S/C56H34N4/c1-3-15-38-32-41(25-24-35(38)12-1)54-47-18-7-9-21-49(47)57-56(58-54)60-52-34-40(28-30-45(52)46-31-27-37-14-5-6-17-44(37)55(46)60)43-20-11-23-51-53(43)48-19-8-10-22-50(48)59(51)42-29-26-36-13-2-4-16-39(36)33-42/h1-34H
InChIKeyZGUXYEBAXXTGEZ-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.62
Rot. Bonds4

About 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole

9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole (PubChem CID 155114360) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole.

Molecular Properties

Compound Name9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole
PubChem CID155114360
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole
SMILESc1ccc2cc(-c3nc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccc7ccccc7c6)ccc5c5ccc6ccccc6c54)nc4ccccc34)ccc2c1
InChIInChI=1S/C56H34N4/c1-3-15-38-32-41(25-24-35(38)12-1)54-47-18-7-9-21-49(47)57-56(58-54)60-52-34-40(28-30-45(52)46-31-27-37-14-5-6-17-44(37)55(46)60)43-20-11-23-51-53(43)48-19-8-10-22-50(48)59(51)42-29-26-36-13-2-4-16-39(36)33-42/h1-34H
InChIKeyZGUXYEBAXXTGEZ-UHFFFAOYSA-N
XLogP14.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 131979682
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166956013
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167209938
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
9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 163508153
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
12-[4-(9-phenylcarbazol-2-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 129149729
15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
CID 162770146
10-benzo[a]carbazol-11-yl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142474106

Frequently Asked Questions

What is the IUPAC name of 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole?
The IUPAC name of 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole (CID 155114360) is 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole.
What is the SMILES notation for 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole?
The canonical SMILES for 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole is c1ccc2cc(-c3nc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccc7ccccc7c6)ccc5c5ccc6ccccc6c54)nc4ccccc34)ccc2c1.
What is the InChIKey of 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole?
The InChIKey is ZGUXYEBAXXTGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-3-15-38-32-41(25-24-35(38)12-1)54-47-18-7-9-21-49(47)57-56(58-54)60-52-34-40(28-30-45(52)46-31-27-37-14-5-6-17-44(37)55(46)60)43-20-11-23-51-53(43)48-19-8-10-22-50(48)59(51)42-29-26-36-13-2-4-16-39(36)33-42/h1-34H.
What are the key properties of 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole?
9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole has a molecular weight of 762.92 g/mol, XLogP of 14.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole is sourced from PubChem (CID 155114360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).