N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane

C60H44N2O — CID 144844381

IUPACN-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane
SMILESCC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H38N2O.C2H6/c1-2-13-39(14-3-1)40-25-30-44(31-26-40)59(54-23-12-16-41-15-4-5-19-49(41)54)45-32-27-42(28-33-45)47-17-6-7-18-48(47)43-29-36-56-53(37-43)50-20-8-10-22-55(50)60(56)46-34-35-52-51-21-9-11-24-57(51)61-58(52)38-46;1-2/h1-38H;1-2H3
InChIKeyXKCJWGNHNLKXTB-UHFFFAOYSA-N
MW809.03 g/mol
LogP17.33
Rot. Bonds7

About N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane

N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane (PubChem CID 144844381) has the molecular formula C60H44N2O and a molecular weight of 809.03 g/mol. Its IUPAC name is N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane.

Molecular Properties

Compound NameN-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane
PubChem CID144844381
Molecular FormulaC60H44N2O
Molecular Weight809.03 g/mol
Exact Mass808.35
IUPAC NameN-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane
SMILESCC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H38N2O.C2H6/c1-2-13-39(14-3-1)40-25-30-44(31-26-40)59(54-23-12-16-41-15-4-5-19-49(41)54)45-32-27-42(28-33-45)47-17-6-7-18-48(47)43-29-36-56-53(37-43)50-20-8-10-22-55(50)60(56)46-34-35-52-51-21-9-11-24-57(51)61-58(52)38-46;1-2/h1-38H;1-2H3
InChIKeyXKCJWGNHNLKXTB-UHFFFAOYSA-N
XLogP17.33
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.03
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 118337766
9-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 167061566
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
CID 158555584
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 149242744
N-(3-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 153315196
N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 89491956
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298823
N-[4-[3-[3-[2-[4-[4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)anilino]phenyl]phenanthren-9-yl]carbazol-9-yl]phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167179678
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510838
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314660

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane?
The IUPAC name of N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane (CID 144844381) is N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane.
What is the SMILES notation for N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane?
The canonical SMILES for N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane is CC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane?
The InChIKey is XKCJWGNHNLKXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O.C2H6/c1-2-13-39(14-3-1)40-25-30-44(31-26-40)59(54-23-12-16-41-15-4-5-19-49(41)54)45-32-27-42(28-33-45)47-17-6-7-18-48(47)43-29-36-56-53(37-43)50-20-8-10-22-55(50)60(56)46-34-35-52-51-21-9-11-24-57(51)61-58(52)38-46;1-2/h1-38H;1-2H3.
What are the key properties of N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane?
N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane has a molecular weight of 809.03 g/mol, XLogP of 17.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane is sourced from PubChem (CID 144844381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).