4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C68H48N2 — CID 138667094

IUPAC4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C68H48N2/c1-6-23-49(24-7-1)50-41-43-56(44-42-50)70(57-47-45-55(46-48-57)69(53-29-12-4-13-30-53)54-31-14-5-15-32-54)65-40-22-39-64-66(65)58-33-16-17-34-59(58)68(64)62-37-20-18-35-60(62)67(51-25-8-2-9-26-51,52-27-10-3-11-28-52)61-36-19-21-38-63(61)68/h1-48H
InChIKeyCVXWXEJQBRYQEA-UHFFFAOYSA-N
MW893.15 g/mol
LogP17.35
Rot. Bonds9

About 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 138667094) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID138667094
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C68H48N2/c1-6-23-49(24-7-1)50-41-43-56(44-42-50)70(57-47-45-55(46-48-57)69(53-29-12-4-13-30-53)54-31-14-5-15-32-54)65-40-22-39-64-66(65)58-33-16-17-34-59(58)68(64)62-37-20-18-35-60(62)67(51-25-8-2-9-26-51,52-27-10-3-11-28-52)61-36-19-21-38-63(61)68/h1-48H
InChIKeyCVXWXEJQBRYQEA-UHFFFAOYSA-N
XLogP17.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
CID 118153763
CID 118153763
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 138667094) is 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is c1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is CVXWXEJQBRYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-6-23-49(24-7-1)50-41-43-56(44-42-50)70(57-47-45-55(46-48-57)69(53-29-12-4-13-30-53)54-31-14-5-15-32-54)65-40-22-39-64-66(65)58-33-16-17-34-59(58)68(64)62-37-20-18-35-60(62)67(51-25-8-2-9-26-51,52-27-10-3-11-28-52)61-36-19-21-38-63(61)68/h1-48H.
What are the key properties of 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 893.15 g/mol, XLogP of 17.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 138667094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).