4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine

C52H36N2O — CID 167227674

IUPAC4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESC1=CC2c3ccccc3N(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)C2C=C1
InChIInChI=1S/C52H36N2O/c1-2-15-36(16-3-1)53(37-31-29-35(30-32-37)38-23-14-28-51-52(38)45-22-9-13-27-50(45)55-51)49-34-33-40(39-17-4-5-18-41(39)49)42-19-6-10-24-46(42)54-47-25-11-7-20-43(47)44-21-8-12-26-48(44)54/h1-34,43,47H
InChIKeyOOVASZIYZLBVNH-UHFFFAOYSA-N
MW704.87 g/mol
LogP14.27
Rot. Bonds6

About 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine

4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine (PubChem CID 167227674) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
PubChem CID167227674
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESC1=CC2c3ccccc3N(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)C2C=C1
InChIInChI=1S/C52H36N2O/c1-2-15-36(16-3-1)53(37-31-29-35(30-32-37)38-23-14-28-51-52(38)45-22-9-13-27-50(45)55-51)49-34-33-40(39-17-4-5-18-41(39)49)42-19-6-10-24-46(42)54-47-25-11-7-20-43(47)44-21-8-12-26-48(44)54/h1-34,43,47H
InChIKeyOOVASZIYZLBVNH-UHFFFAOYSA-N
XLogP14.27
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167234495
N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167235133
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171434890
4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
CID 176609769
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine
CID 170026171
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144554231

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine?
The IUPAC name of 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine (CID 167227674) is 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine?
The canonical SMILES for 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine is C1=CC2c3ccccc3N(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)C2C=C1.
What is the InChIKey of 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine?
The InChIKey is OOVASZIYZLBVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-2-15-36(16-3-1)53(37-31-29-35(30-32-37)38-23-14-28-51-52(38)45-22-9-13-27-50(45)55-51)49-34-33-40(39-17-4-5-18-41(39)49)42-19-6-10-24-46(42)54-47-25-11-7-20-43(47)44-21-8-12-26-48(44)54/h1-34,43,47H.
What are the key properties of 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine?
4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine has a molecular weight of 704.87 g/mol, XLogP of 14.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 167227674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).