1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine

C46H30N2O — CID 154697040

IUPAC1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4ccc5c(c4)oc4ccccc45)c4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-2-10-30(11-3-1)32-18-22-35(23-19-32)48(36-24-20-31-12-4-5-13-33(31)26-36)37-28-41(46-42(29-37)38-14-6-8-16-43(38)47-46)34-21-25-40-39-15-7-9-17-44(39)49-45(40)27-34/h1-29,47H
InChIKeyJMJDFUXABWKURH-UHFFFAOYSA-N
MW626.76 g/mol
LogP13.18
Rot. Bonds5

About 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine

1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine (PubChem CID 154697040) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine
PubChem CID154697040
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4ccc5c(c4)oc4ccccc45)c4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-2-10-30(11-3-1)32-18-22-35(23-19-32)48(36-24-20-31-12-4-5-13-33(31)26-36)37-28-41(46-42(29-37)38-14-6-8-16-43(38)47-46)34-21-25-40-39-15-7-9-17-44(39)49-45(40)27-34/h1-29,47H
InChIKeyJMJDFUXABWKURH-UHFFFAOYSA-N
XLogP13.18
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 513.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(9H-carbazol-1-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 154697151
7-(9H-carbazol-1-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 154697177
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
CID 167323705
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167411039

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The IUPAC name of 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine (CID 154697040) is 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The canonical SMILES for 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4ccc5c(c4)oc4ccccc45)c4[nH]c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The InChIKey is JMJDFUXABWKURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-2-10-30(11-3-1)32-18-22-35(23-19-32)48(36-24-20-31-12-4-5-13-33(31)26-36)37-28-41(46-42(29-37)38-14-6-8-16-43(38)47-46)34-21-25-40-39-15-7-9-17-44(39)49-45(40)27-34/h1-29,47H.
What are the key properties of 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine?
1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine has a molecular weight of 626.76 g/mol, XLogP of 13.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 154697040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).