N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline

C64H42N2O — CID 167234831

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-2-15-45(16-3-1)54-40-35-48(53-25-13-18-44-17-4-5-21-52(44)53)42-61(54)65(50-38-33-46(34-39-50)55-26-14-30-63-64(55)58-24-8-11-29-62(58)67-63)49-36-31-43(32-37-49)47-19-12-20-51(41-47)66-59-27-9-6-22-56(59)57-23-7-10-28-60(57)66/h1-42H
InChIKeyCWVJPHMQDIRWNR-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline (PubChem CID 167234831) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
PubChem CID167234831
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-2-15-45(16-3-1)54-40-35-48(53-25-13-18-44-17-4-5-21-52(44)53)42-61(54)65(50-38-33-46(34-39-50)55-26-14-30-63-64(55)58-24-8-11-29-62(58)67-63)49-36-31-43(32-37-49)47-19-12-20-51(41-47)66-59-27-9-6-22-56(59)57-23-7-10-28-60(57)66/h1-42H
InChIKeyCWVJPHMQDIRWNR-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167234931
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398415
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline
CID 171764248
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234123
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
3-carbazol-9-yl-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398643
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenanthren-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235316
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline (CID 167234831) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?
The InChIKey is CWVJPHMQDIRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-15-45(16-3-1)54-40-35-48(53-25-13-18-44-17-4-5-21-52(44)53)42-61(54)65(50-38-33-46(34-39-50)55-26-14-30-63-64(55)58-24-8-11-29-62(58)67-63)49-36-31-43(32-37-49)47-19-12-20-51(41-47)66-59-27-9-6-22-56(59)57-23-7-10-28-60(57)66/h1-42H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 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]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline is sourced from PubChem (CID 167234831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).