2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine

C66H52N2 — CID 58672384

IUPAC2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(CCCCC3)c3cc(N(c5ccccc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3-4)cc2)cc1
InChIInChI=1S/C66H52N2/c1-7-19-48(20-8-1)52-29-33-57(34-30-52)67(58-35-31-53(32-36-58)49-21-9-2-10-22-49)59-37-39-62-63-40-38-60(47-65(63)66(64(62)46-59)41-17-6-18-42-66)68(56-27-15-5-16-28-56)61-44-54(50-23-11-3-12-24-50)43-55(45-61)51-25-13-4-14-26-51/h1-5,7-16,19-40,43-47H,6,17-18,41-42H2
InChIKeyXFGFTMVOGGOISK-UHFFFAOYSA-N
MW873.16 g/mol
LogP18.52
Rot. Bonds10

About 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine

2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine (PubChem CID 58672384) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
PubChem CID58672384
Molecular FormulaC66H52N2
Molecular Weight873.16 g/mol
Exact Mass872.41
IUPAC Name2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(CCCCC3)c3cc(N(c5ccccc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3-4)cc2)cc1
InChIInChI=1S/C66H52N2/c1-7-19-48(20-8-1)52-29-33-57(34-30-52)67(58-35-31-53(32-36-58)49-21-9-2-10-22-49)59-37-39-62-63-40-38-60(47-65(63)66(64(62)46-59)41-17-6-18-42-66)68(56-27-15-5-16-28-56)61-44-54(50-23-11-3-12-24-50)43-55(45-61)51-25-13-4-14-26-51/h1-5,7-16,19-40,43-47H,6,17-18,41-42H2
InChIKeyXFGFTMVOGGOISK-UHFFFAOYSA-N
XLogP18.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.16
LogP ≤ 518.52
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
2-N-[4-(N-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-(N-[7'-(N-phenylanilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 159780525
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
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
9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-phenanthren-9-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N'-(3,5-diphenylphenyl)-7-N'-naphthalen-1-yl-2-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine;1-N-(3,5-diphenylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(3,5-diphenylphenyl)-4-N-(4-phenylphenyl)-1-N,1-N-bis[4-(3-phenylphenyl)phenyl]benzene-1,4-diamine;4-N-(3,5-diphenylphenyl)-1-N-phenyl-4-N-(4-phenylphenyl)-1-N-[4-(3-phenylphenyl)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N-(4-phenylphenyl)-1-N,4-N-bis[4-(3-phenylphenyl)phenyl]benzene-1,4-diamine;2-N'-naphthalen-1-yl-2-N'-phenyl-7-N'-(4-phenylphenyl)-7-N'-[4-(3-phenylphenyl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 159617374
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
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',7-N',7-N'-triphenyl-2-N'-[7'-(N-[7'-(N-phenylanilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-[4-(N-[7'-(N-phenylanilino)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2',7'-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-[4-(N-[7'-(N-phenylanilino)spiro[2,3-dihydro-1H-naphthalene-4,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,9'-fluorene]-2',7'-diamine
CID 160591326
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine
CID 169029783
2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
CID 138601412

Frequently Asked Questions

What is the IUPAC name of 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine?
The IUPAC name of 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) is 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(CCCCC3)c3cc(N(c5ccccc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3-4)cc2)cc1.
What is the InChIKey of 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine?
The InChIKey is XFGFTMVOGGOISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2/c1-7-19-48(20-8-1)52-29-33-57(34-30-52)67(58-35-31-53(32-36-58)49-21-9-2-10-22-49)59-37-39-62-63-40-38-60(47-65(63)66(64(62)46-59)41-17-6-18-42-66)68(56-27-15-5-16-28-56)61-44-54(50-23-11-3-12-24-50)43-55(45-61)51-25-13-4-14-26-51/h1-5,7-16,19-40,43-47H,6,17-18,41-42H2.
What are the key properties of 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine?
2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine has a molecular weight of 873.16 g/mol, XLogP of 18.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 58672384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).