N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline

C64H42N2O — CID 168781725

IUPACN-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)cc3)c2)cc1
InChIInChI=1S/C64H42N2O/c1-3-12-43(13-4-1)48-15-11-16-49(40-48)44-22-31-53(32-23-44)65(55-35-26-46(27-36-55)51-30-38-59-58-20-9-10-21-62(58)67-63(59)42-51)54-33-24-45(25-34-54)50-29-37-57-60-39-28-47-14-7-8-19-56(47)64(60)66(61(57)41-50)52-17-5-2-6-18-52/h1-42H
InChIKeyBIFCZDMBYOTQGM-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline

N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 168781725) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID168781725
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)cc3)c2)cc1
InChIInChI=1S/C64H42N2O/c1-3-12-43(13-4-1)48-15-11-16-49(40-48)44-22-31-53(32-23-44)65(55-35-26-46(27-36-55)51-30-38-59-58-20-9-10-21-62(58)67-63(59)42-51)54-33-24-45(25-34-54)50-29-37-57-60-39-28-47-14-7-8-19-56(47)64(60)66(61(57)41-50)52-17-5-2-6-18-52/h1-42H
InChIKeyBIFCZDMBYOTQGM-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-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168781443
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
N-naphthalen-1-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168782154
4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781618
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 168781725) is N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)cc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is BIFCZDMBYOTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-12-43(13-4-1)48-15-11-16-49(40-48)44-22-31-53(32-23-44)65(55-35-26-46(27-36-55)51-30-38-59-58-20-9-10-21-62(58)67-63(59)42-51)54-33-24-45(25-34-54)50-29-37-57-60-39-28-47-14-7-8-19-56(47)64(60)66(61(57)41-50)52-17-5-2-6-18-52/h1-42H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline 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-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 168781725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).