2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine

C57H44N2 — CID 138601412

IUPAC2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(CCCC3)c3cc5ccccc5c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c3-4)cc2)cc1
InChIInChI=1S/C57H44N2/c1-5-17-41(18-6-1)43-27-31-48(32-28-43)58(46-22-9-3-10-23-46)50-35-36-52-53(40-50)57(37-15-16-38-57)54-39-45-21-13-14-26-51(45)56(55(52)54)59(47-24-11-4-12-25-47)49-33-29-44(30-34-49)42-19-7-2-8-20-42/h1-14,17-36,39-40H,15-16,37-38H2
InChIKeyCUCKTCYCGXHQGS-UHFFFAOYSA-N
MW756.99 g/mol
LogP15.95
Rot. Bonds8

About 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine

2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine (PubChem CID 138601412) has the molecular formula C57H44N2 and a molecular weight of 756.99 g/mol. Its IUPAC name is 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
PubChem CID138601412
Molecular FormulaC57H44N2
Molecular Weight756.99 g/mol
Exact Mass756.35
IUPAC Name2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(CCCC3)c3cc5ccccc5c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c3-4)cc2)cc1
InChIInChI=1S/C57H44N2/c1-5-17-41(18-6-1)43-27-31-48(32-28-43)58(46-22-9-3-10-23-46)50-35-36-52-53(40-50)57(37-15-16-38-57)54-39-45-21-13-14-26-51(45)56(55(52)54)59(47-24-11-4-12-25-47)49-33-29-44(30-34-49)42-19-7-2-8-20-42/h1-14,17-36,39-40H,15-16,37-38H2
InChIKeyCUCKTCYCGXHQGS-UHFFFAOYSA-N
XLogP15.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.99
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-[4-(N-[7'-(4-phenyl-N-(4-phenylphenyl)anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 59025081
5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 58672384
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
1-N-(9,9-dimethylfluoren-2-yl)-4-N-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-[4-(N-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1-N-[4-[4-(N-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)anilino]phenyl]phenyl]-1-N-phenyl-1-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158953049
N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine
CID 134442718
2-N,6-N-di(phenanthren-9-yl)-2-N,6-N-diphenyl-9,10-dihydroanthracene-2,6-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 158670928
N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 71079801
2-N'-phenyl-2-N'-(2-phenylnaphthalen-1-yl)-2-N,2-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633841

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine?
The IUPAC name of 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine (CID 138601412) is 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine.
What is the SMILES notation for 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine?
The canonical SMILES for 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(CCCC3)c3cc5ccccc5c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c3-4)cc2)cc1.
What is the InChIKey of 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine?
The InChIKey is CUCKTCYCGXHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N2/c1-5-17-41(18-6-1)43-27-31-48(32-28-43)58(46-22-9-3-10-23-46)50-35-36-52-53(40-50)57(37-15-16-38-57)54-39-45-21-13-14-26-51(45)56(55(52)54)59(47-24-11-4-12-25-47)49-33-29-44(30-34-49)42-19-7-2-8-20-42/h1-14,17-36,39-40H,15-16,37-38H2.
What are the key properties of 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine?
2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine has a molecular weight of 756.99 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine is sourced from PubChem (CID 138601412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).