2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole

C50H30N4 — CID 131979682

IUPAC2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc2cc(-c3nc(-n4c5ccccc5c5c6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6ccc54)nc4ccccc34)ccc2c1
InChIInChI=1S/C50H30N4/c1-2-13-34-29-35(22-21-31(34)11-1)48-40-16-5-8-18-43(40)51-50(52-48)54-45-20-10-7-17-41(45)47-42-30-36(26-23-33(42)25-28-46(47)54)53-44-19-9-6-15-38(44)39-27-24-32-12-3-4-14-37(32)49(39)53/h1-30H
InChIKeyBHLGJDYQYPACKK-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.95
Rot. Bonds3

About 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole

2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole (PubChem CID 131979682) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
PubChem CID131979682
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc2cc(-c3nc(-n4c5ccccc5c5c6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6ccc54)nc4ccccc34)ccc2c1
InChIInChI=1S/C50H30N4/c1-2-13-34-29-35(22-21-31(34)11-1)48-40-16-5-8-18-43(40)51-50(52-48)54-45-20-10-7-17-41(45)47-42-30-36(26-23-33(42)25-28-46(47)54)53-44-19-9-6-15-38(44)39-27-24-32-12-3-4-14-37(32)49(39)53/h1-30H
InChIKeyBHLGJDYQYPACKK-UHFFFAOYSA-N
XLogP12.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-benzo[a]carbazol-11-yl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142474106
9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole
CID 155114360
22-(4-naphthalen-2-ylquinazolin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597968
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
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
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165926
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
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957425
18-naphthalen-2-yl-15-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679343

Frequently Asked Questions

What is the IUPAC name of 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The IUPAC name of 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole (CID 131979682) is 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The canonical SMILES for 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole is c1ccc2cc(-c3nc(-n4c5ccccc5c5c6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6ccc54)nc4ccccc34)ccc2c1.
What is the InChIKey of 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The InChIKey is BHLGJDYQYPACKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-13-34-29-35(22-21-31(34)11-1)48-40-16-5-8-18-43(40)51-50(52-48)54-45-20-10-7-17-41(45)47-42-30-36(26-23-33(42)25-28-46(47)54)53-44-19-9-6-15-38(44)39-27-24-32-12-3-4-14-37(32)49(39)53/h1-30H.
What are the key properties of 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole?
2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole has a molecular weight of 686.82 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 131979682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).