N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline

C58H40N2O — CID 167234495

IUPACN-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
SMILESC1=CC2c3ccccc3N(c3cccc(N(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)c3)C2C=C1
InChIInChI=1S/C58H40N2O/c1-2-15-40(16-3-1)49-32-30-44(43-29-28-39-14-4-5-17-41(39)34-43)36-56(49)59(46-19-12-18-42(35-46)45-31-33-53-52-24-8-11-27-57(52)61-58(53)37-45)47-20-13-21-48(38-47)60-54-25-9-6-22-50(54)51-23-7-10-26-55(51)60/h1-38,50,54H
InChIKeyJBAQJOSMMMOMKK-UHFFFAOYSA-N
MW780.97 g/mol
LogP15.94
Rot. Bonds7

About N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline

N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline (PubChem CID 167234495) has the molecular formula C58H40N2O and a molecular weight of 780.97 g/mol. Its IUPAC name is N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline.

Molecular Properties

Compound NameN-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
PubChem CID167234495
Molecular FormulaC58H40N2O
Molecular Weight780.97 g/mol
Exact Mass780.31
IUPAC NameN-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
SMILESC1=CC2c3ccccc3N(c3cccc(N(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)c3)C2C=C1
InChIInChI=1S/C58H40N2O/c1-2-15-40(16-3-1)49-32-30-44(43-29-28-39-14-4-5-17-41(39)34-43)36-56(49)59(46-19-12-18-42(35-46)45-31-33-53-52-24-8-11-27-57(52)61-58(53)37-45)47-20-13-21-48(38-47)60-54-25-9-6-22-50(54)51-23-7-10-26-55(51)60/h1-38,50,54H
InChIKeyJBAQJOSMMMOMKK-UHFFFAOYSA-N
XLogP15.94
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.97
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 163940002
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167235810
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234545
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227674
N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167235133
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167235820
3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline;3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 158671562
N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine
CID 175614953
N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234579
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392

Frequently Asked Questions

What is the IUPAC name of N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The IUPAC name of N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline (CID 167234495) is N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline.
What is the SMILES notation for N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The canonical SMILES for N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline is C1=CC2c3ccccc3N(c3cccc(N(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)c3)C2C=C1.
What is the InChIKey of N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
The InChIKey is JBAQJOSMMMOMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O/c1-2-15-40(16-3-1)49-32-30-44(43-29-28-39-14-4-5-17-41(39)34-43)36-56(49)59(46-19-12-18-42(35-46)45-31-33-53-52-24-8-11-27-57(52)61-58(53)37-45)47-20-13-21-48(38-47)60-54-25-9-6-22-50(54)51-23-7-10-26-55(51)60/h1-38,50,54H.
What are the key properties of N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline?
N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline has a molecular weight of 780.97 g/mol, XLogP of 15.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline is sourced from PubChem (CID 167234495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).