N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine

C56H34N4O — CID 155485546

IUPACN-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2c4ccccc4ccc2n3-c2nc(-c3cc4ccccc4c4c3oc3ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C56H34N4O/c1-2-18-39(19-3-1)59(40-28-26-35-14-4-5-16-37(35)32-40)41-29-31-49-46(34-41)52-42-20-8-6-15-36(42)27-30-50(52)60(49)56-57-48-24-12-10-22-44(48)54(58-56)47-33-38-17-7-9-21-43(38)53-45-23-11-13-25-51(45)61-55(47)53/h1-34H
InChIKeyJMJGYPRSMUCAGT-UHFFFAOYSA-N
MW778.92 g/mol
LogP15.22
Rot. Bonds5

About N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine

N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine (PubChem CID 155485546) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
PubChem CID155485546
Molecular FormulaC56H34N4O
Molecular Weight778.92 g/mol
Exact Mass778.27
IUPAC NameN-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2c4ccccc4ccc2n3-c2nc(-c3cc4ccccc4c4c3oc3ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C56H34N4O/c1-2-18-39(19-3-1)59(40-28-26-35-14-4-5-16-37(35)32-40)41-29-31-49-46(34-41)52-42-20-8-6-15-36(42)27-30-50(52)60(49)56-57-48-24-12-10-22-44(48)54(58-56)47-33-38-17-7-9-21-43(38)53-45-23-11-13-25-51(45)61-55(47)53/h1-34H
InChIKeyJMJGYPRSMUCAGT-UHFFFAOYSA-N
XLogP15.22
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
CID 155485378
4-[7-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)benzo[c]carbazol-10-yl]-N,N-diphenylaniline
CID 155485478
12-(4-naphtho[2,3-b][1]benzofuran-4-ylquinazolin-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 166511420
12-(4-dibenzofuran-3-ylquinazolin-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 139361741
10-naphthalen-2-yl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166511416
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 146392071
7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
CID 155485233
7-(4-naphtho[2,1-b][1]benzofuran-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylbenzo[c]carbazol-10-amine
CID 155485338
10-phenyl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 156564267
12-(4-dibenzofuran-2-ylquinazolin-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 129149691
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433908

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine?
The IUPAC name of N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine (CID 155485546) is N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine.
What is the SMILES notation for N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine?
The canonical SMILES for N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2c4ccccc4ccc2n3-c2nc(-c3cc4ccccc4c4c3oc3ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine?
The InChIKey is JMJGYPRSMUCAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-2-18-39(19-3-1)59(40-28-26-35-14-4-5-16-37(35)32-40)41-29-31-49-46(34-41)52-42-20-8-6-15-36(42)27-30-50(52)60(49)56-57-48-24-12-10-22-44(48)54(58-56)47-33-38-17-7-9-21-43(38)53-45-23-11-13-25-51(45)61-55(47)53/h1-34H.
What are the key properties of N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine?
N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine has a molecular weight of 778.92 g/mol, XLogP of 15.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 155485546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).