N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine

C64H45N — CID 164744844

IUPACN,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine
SMILESC1=C(c2ccc(N(c3ccc(C4=Cc5ccccc5C4(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C64H45N/c1-5-23-52(24-6-1)63(53-25-7-2-8-26-53)59-31-17-15-21-50(59)44-61(63)47-34-38-56(39-35-47)65(58-42-33-46-19-13-14-20-49(46)43-58)57-40-36-48(37-41-57)62-45-51-22-16-18-32-60(51)64(62,54-27-9-3-10-28-54)55-29-11-4-12-30-55/h1-45H
InChIKeyZXWARTPNGUSHLA-UHFFFAOYSA-N
MW828.07 g/mol
LogP16.09
Rot. Bonds9

About N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine

N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine (PubChem CID 164744844) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine
PubChem CID164744844
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine
SMILESC1=C(c2ccc(N(c3ccc(C4=Cc5ccccc5C4(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C64H45N/c1-5-23-52(24-6-1)63(53-25-7-2-8-26-53)59-31-17-15-21-50(59)44-61(63)47-34-38-56(39-35-47)65(58-42-33-46-19-13-14-20-49(46)43-58)57-40-36-48(37-41-57)62-45-51-22-16-18-32-60(51)64(62,54-27-9-3-10-28-54)55-29-11-4-12-30-55/h1-45H
InChIKeyZXWARTPNGUSHLA-UHFFFAOYSA-N
XLogP16.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
CID 164744457
4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline
CID 59729653
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744877
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
5-N,8-N-dinaphthalen-2-yl-5-N,8-N-diphenylbenzo[c]phenanthrene-5,8-diamine;5-N,8-N-diphenyl-5-N,8-N-bis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine;N-[4-[10,10-diphenyl-9-[4-(N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;N-[4-[10,10-diphenyl-9-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-N,5-N,8-N,8-N-tetrakis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine
CID 160623402
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine (CID 164744844) is N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine is C1=C(c2ccc(N(c3ccc(C4=Cc5ccccc5C4(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is ZXWARTPNGUSHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-5-23-52(24-6-1)63(53-25-7-2-8-26-53)59-31-17-15-21-50(59)44-61(63)47-34-38-56(39-35-47)65(58-42-33-46-19-13-14-20-49(46)43-58)57-40-36-48(37-41-57)62-45-51-22-16-18-32-60(51)64(62,54-27-9-3-10-28-54)55-29-11-4-12-30-55/h1-45H.
What are the key properties of N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine?
N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 828.07 g/mol, XLogP of 16.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 164744844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).