N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine

C51H31N3O2 — CID 170410254

IUPACN-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc(-n7c8ccccc8c8ccccc87)c6)c6ccc7c(c6)oc6ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-11-34(12-3-1)51-52-44-28-24-33-22-21-32-23-25-37(30-43(32)49(33)50(44)56-51)53(38-26-27-42-41-17-6-9-20-47(41)55-48(42)31-38)35-13-10-14-36(29-35)54-45-18-7-4-15-39(45)40-16-5-8-19-46(40)54/h1-31H
InChIKeyODUBEECFRADHBV-UHFFFAOYSA-N
MW717.83 g/mol
LogP14.27
Rot. Bonds5

About N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine

N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 170410254) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID170410254
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc(-n7c8ccccc8c8ccccc87)c6)c6ccc7c(c6)oc6ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-11-34(12-3-1)51-52-44-28-24-33-22-21-32-23-25-37(30-43(32)49(33)50(44)56-51)53(38-26-27-42-41-17-6-9-20-47(41)55-48(42)31-38)35-13-10-14-36(29-35)54-45-18-7-4-15-39(45)40-16-5-8-19-46(40)54/h1-31H
InChIKeyODUBEECFRADHBV-UHFFFAOYSA-N
XLogP14.27
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174294004
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174293796
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-8-amine;N,N-diphenyl-4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 163590286
1-N-[3-carbazol-9-yl-5-(N-phenylanilino)phenyl]-3-N,3-N,4-triphenyl-1-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171416962
5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631565
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124467
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127943

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (CID 170410254) is N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc(-n7c8ccccc8c8ccccc87)c6)c6ccc7c(c6)oc6ccccc67)cc5c4c3o2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is ODUBEECFRADHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-11-34(12-3-1)51-52-44-28-24-33-22-21-32-23-25-37(30-43(32)49(33)50(44)56-51)53(38-26-27-42-41-17-6-9-20-47(41)55-48(42)31-38)35-13-10-14-36(29-35)54-45-18-7-4-15-39(45)40-16-5-8-19-46(40)54/h1-31H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 717.83 g/mol, XLogP of 14.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 170410254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).