9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine

C48H30N4O — CID 156564191

IUPAC9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4nc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c5ccccc5n4)c3c2)cc1
InChIInChI=1S/C48H30N4O/c1-3-15-34(16-4-1)51(35-17-5-2-6-18-35)36-24-26-38-37-19-10-12-22-43(37)52(44(38)30-36)48-49-42-21-11-9-20-40(42)47(50-48)33-23-25-39-41-27-31-13-7-8-14-32(31)28-46(41)53-45(39)29-33/h1-30H
InChIKeyOHKRCRMEFVJNMK-UHFFFAOYSA-N
MW678.80 g/mol
LogP12.92
Rot. Bonds5

About 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine

9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine (PubChem CID 156564191) has the molecular formula C48H30N4O and a molecular weight of 678.80 g/mol. Its IUPAC name is 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine.

Molecular Properties

Compound Name9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine
PubChem CID156564191
Molecular FormulaC48H30N4O
Molecular Weight678.80 g/mol
Exact Mass678.24
IUPAC Name9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4nc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c5ccccc5n4)c3c2)cc1
InChIInChI=1S/C48H30N4O/c1-3-15-34(16-4-1)51(35-17-5-2-6-18-35)36-24-26-38-37-19-10-12-22-43(37)52(44(38)30-36)48-49-42-21-11-9-20-40(42)47(50-48)33-23-25-39-41-27-31-13-7-8-14-32(31)28-46(41)53-45(39)29-33/h1-30H
InChIKeyOHKRCRMEFVJNMK-UHFFFAOYSA-N
XLogP12.92
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine with MolForge

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Related Compounds

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
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375678
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631
6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285248
25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235598
9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359579
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
5-(4-naphtho[1,2-b][1]benzofuran-9-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 166511619
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 155409935

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine?
The IUPAC name of 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine (CID 156564191) is 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine.
What is the SMILES notation for 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine?
The canonical SMILES for 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine is c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4nc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c5ccccc5n4)c3c2)cc1.
What is the InChIKey of 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine?
The InChIKey is OHKRCRMEFVJNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O/c1-3-15-34(16-4-1)51(35-17-5-2-6-18-35)36-24-26-38-37-19-10-12-22-43(37)52(44(38)30-36)48-49-42-21-11-9-20-40(42)47(50-48)33-23-25-39-41-27-31-13-7-8-14-32(31)28-46(41)53-45(39)29-33/h1-30H.
What are the key properties of 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine?
9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine has a molecular weight of 678.80 g/mol, XLogP of 12.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine is sourced from PubChem (CID 156564191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).