N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C52H34N2O — CID 118402344

IUPACN-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C52H34N2O/c1-2-14-39(15-3-1)53(48-22-10-13-37-12-4-5-16-42(37)48)40-29-24-35(25-30-40)36-26-31-41(32-27-36)54-49-21-8-6-17-44(49)47-34-38(28-33-50(47)54)43-19-11-20-46-45-18-7-9-23-51(45)55-52(43)46/h1-34H
InChIKeyKSQORMUGVYGRSQ-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 118402344) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID118402344
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C52H34N2O/c1-2-14-39(15-3-1)53(48-22-10-13-37-12-4-5-16-42(37)48)40-29-24-35(25-30-40)36-26-31-41(32-27-36)54-49-21-8-6-17-44(49)47-34-38(28-33-50(47)54)43-19-11-20-46-45-18-7-9-23-51(45)55-52(43)46/h1-34H
InChIKeyKSQORMUGVYGRSQ-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-methylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 157318792
N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 89491956
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 165090747
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161439456
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-phenylaniline;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]naphthalen-1-amine;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157284109
N-[4-[2-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;ethane
CID 144844381
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
CID 58510953
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-[3-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 139544547
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 118402344) is N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is KSQORMUGVYGRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-14-39(15-3-1)53(48-22-10-13-37-12-4-5-16-42(37)48)40-29-24-35(25-30-40)36-26-31-41(32-27-36)54-49-21-8-6-17-44(49)47-34-38(28-33-50(47)54)43-19-11-20-46-45-18-7-9-23-51(45)55-52(43)46/h1-34H.
What are the key properties of N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 118402344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).