N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline

C60H40N2O — CID 153315073

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4ccc5c(oc6ccccc65)c4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-16-41(17-4-1)44-20-13-23-48(38-44)61(47-34-32-42(33-35-47)45-21-14-25-50(39-45)62-56-29-10-7-26-52(56)53-27-8-11-30-57(53)62)49-24-15-22-46(40-49)51-36-37-55-54-28-9-12-31-58(54)63-60(55)59(51)43-18-5-2-6-19-43/h1-40H
InChIKeySFTUTCYCQYTIHM-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline (PubChem CID 153315073) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
PubChem CID153315073
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4ccc5c(oc6ccccc65)c4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-16-41(17-4-1)44-20-13-23-48(38-44)61(47-34-32-42(33-35-47)45-21-14-25-50(39-45)62-56-29-10-7-26-52(56)53-27-8-11-30-57(53)62)49-24-15-22-46(40-49)51-36-37-55-54-28-9-12-31-58(54)63-60(55)59(51)43-18-5-2-6-19-43/h1-40H
InChIKeySFTUTCYCQYTIHM-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314668
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline
CID 153315097
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314971
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789400
5-[2,3-bis(6,9-diphenylcarbazol-3-yl)phenyl]-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;5-[2,3-bis(9-phenylcarbazol-3-yl)phenyl]-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;3-[3-[9-(4-dibenzofuran-4-ylphenyl)-6-phenylcarbazol-3-yl]-2-phenylphenyl]-N,N-bis(4-phenylphenyl)aniline
CID 158694692

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline (CID 153315073) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline is c1ccc(-c2cccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4ccc5c(oc6ccccc65)c4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline?
The InChIKey is SFTUTCYCQYTIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-16-41(17-4-1)44-20-13-23-48(38-44)61(47-34-32-42(33-35-47)45-21-14-25-50(39-45)62-56-29-10-7-26-52(56)53-27-8-11-30-57(53)62)49-24-15-22-46(40-49)51-36-37-55-54-28-9-12-31-58(54)63-60(55)59(51)43-18-5-2-6-19-43/h1-40H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline is sourced from PubChem (CID 153315073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).