2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline

C63H43N — CID 177097134

IUPAC2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C63H43N/c1-3-19-44(20-4-1)45-39-41-50(42-40-45)64(51-28-17-27-49(43-51)63(48-25-5-2-6-26-48)59-36-13-11-31-55(59)56-32-12-14-37-60(56)63)61-38-18-35-58(54-33-15-23-46-21-7-9-29-52(46)54)62(61)57-34-16-24-47-22-8-10-30-53(47)57/h1-43H
InChIKeyRVYMMIKNZFGAJU-UHFFFAOYSA-N
MW814.04 g/mol
LogP16.83
Rot. Bonds8

About 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline

2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 177097134) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID177097134
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC Name2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C63H43N/c1-3-19-44(20-4-1)45-39-41-50(42-40-45)64(51-28-17-27-49(43-51)63(48-25-5-2-6-26-48)59-36-13-11-31-55(59)56-32-12-14-37-60(56)63)61-38-18-35-58(54-33-15-23-46-21-7-9-29-52(46)54)62(61)57-34-16-24-47-22-8-10-30-53(47)57/h1-43H
InChIKeyRVYMMIKNZFGAJU-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]naphthalen-1-amine
CID 157395516
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-(4-naphthalen-1-ylphenyl)-N-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]naphthalen-1-amine
CID 129230919
N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 129230832
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 169020349
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270

Frequently Asked Questions

What is the IUPAC name of 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 177097134) is 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is RVYMMIKNZFGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-3-19-44(20-4-1)45-39-41-50(42-40-45)64(51-28-17-27-49(43-51)63(48-25-5-2-6-26-48)59-36-13-11-31-55(59)56-32-12-14-37-60(56)63)61-38-18-35-58(54-33-15-23-46-21-7-9-29-52(46)54)62(61)57-34-16-24-47-22-8-10-30-53(47)57/h1-43H.
What are the key properties of 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 814.04 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177097134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).