N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine

C50H32N2O — CID 163903640

IUPACN-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)39-26-28-47(41-20-10-9-19-40(39)41)51(38-23-25-43-45-29-34-15-7-8-16-35(34)30-49(45)53-50(43)32-38)37-24-27-48-44(31-37)42-21-11-12-22-46(42)52(48)36-17-5-2-6-18-36/h1-32H
InChIKeyQLZVFUOLBRQOOP-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine

N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine (PubChem CID 163903640) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
PubChem CID163903640
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)39-26-28-47(41-20-10-9-19-40(39)41)51(38-23-25-43-45-29-34-15-7-8-16-35(34)30-49(45)53-50(43)32-38)37-24-27-48-44(31-37)42-21-11-12-22-46(42)52(48)36-17-5-2-6-18-36/h1-32H
InChIKeyQLZVFUOLBRQOOP-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-yl-2-phenylphenyl)-N-naphtho[3,2-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
CID 163915696
N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163412260
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
CID 158555584
N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 171057527
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 168809159
N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163536475
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071
N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181394
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine (CID 163903640) is N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The InChIKey is QLZVFUOLBRQOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-13-33(14-4-1)39-26-28-47(41-20-10-9-19-40(39)41)51(38-23-25-43-45-29-34-15-7-8-16-35(34)30-49(45)53-50(43)32-38)37-24-27-48-44(31-37)42-21-11-12-22-46(42)52(48)36-17-5-2-6-18-36/h1-32H.
What are the key properties of N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine has a molecular weight of 676.82 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,3-b][1]benzofuran-3-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine is sourced from PubChem (CID 163903640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).