N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

C63H54N2 — CID 71079801

IUPACN-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C63H54N2/c1-45-27-32-53(43-59(45)62(39-12-13-40-62)49-19-4-2-5-20-49)64(54-37-38-57-56-24-10-11-25-58(56)63(60(57)44-54)41-14-15-42-63)51-33-28-46(29-34-51)47-30-35-52(36-31-47)65(50-21-6-3-7-22-50)61-26-16-18-48-17-8-9-23-55(48)61/h2-11,16-38,43-44H,12-15,39-42H2,1H3
InChIKeyZKBPZZHCUQVEKZ-UHFFFAOYSA-N
MW839.14 g/mol
LogP17.46
Rot. Bonds9

About N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 71079801) has the molecular formula C63H54N2 and a molecular weight of 839.14 g/mol. Its IUPAC name is N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID71079801
Molecular FormulaC63H54N2
Molecular Weight839.14 g/mol
Exact Mass838.43
IUPAC NameN-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C63H54N2/c1-45-27-32-53(43-59(45)62(39-12-13-40-62)49-19-4-2-5-20-49)64(54-37-38-57-56-24-10-11-25-58(56)63(60(57)44-54)41-14-15-42-63)51-33-28-46(29-34-51)47-30-35-52(36-31-47)65(50-21-6-3-7-22-50)61-26-16-18-48-17-8-9-23-55(48)61/h2-11,16-38,43-44H,12-15,39-42H2,1H3
InChIKeyZKBPZZHCUQVEKZ-UHFFFAOYSA-N
XLogP17.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.14
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216061
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane;N-naphthalen-1-yl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N,4-diphenylnaphthalen-1-amine;N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 159230719
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
2-N',7-N'-bis(3-methylphenyl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;deuterio(tritio)phosphane;2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;3-methyl-4-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 163487514
4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine;2-N,2-N',7-N,7-N'-tetranaphthalen-1-yl-2-N,2-N',7-N,7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 158613408
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of 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) is N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc1C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is ZKBPZZHCUQVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N2/c1-45-27-32-53(43-59(45)62(39-12-13-40-62)49-19-4-2-5-20-49)64(54-37-38-57-56-24-10-11-25-58(56)63(60(57)44-54)41-14-15-42-63)51-33-28-46(29-34-51)47-30-35-52(36-31-47)65(50-21-6-3-7-22-50)61-26-16-18-48-17-8-9-23-55(48)61/h2-11,16-38,43-44H,12-15,39-42H2,1H3.
What are the key properties of N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 839.14 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 71079801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).