5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine

C63H49N — CID 171741136

IUPAC5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc(C6CCCCC6)c4-5)c4ccc5ccccc5c4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C63H49N/c1-5-19-45(20-6-1)56-30-17-31-59-62(56)58-41-39-54(43-60(58)63(59,50-25-9-3-10-26-50)51-27-11-4-12-28-51)64(53-38-32-44-18-13-14-24-49(44)42-53)52-36-33-47(34-37-52)57-40-35-46-21-15-16-29-55(46)61(57)48-22-7-2-8-23-48/h2-4,7-18,21-43,45H,1,5-6,19-20H2
InChIKeyCDONPAUDCBQJGN-UHFFFAOYSA-N
MW820.09 g/mol
LogP17.21
Rot. Bonds8

About 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine

5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 171741136) has the molecular formula C63H49N and a molecular weight of 820.09 g/mol. Its IUPAC name is 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
PubChem CID171741136
Molecular FormulaC63H49N
Molecular Weight820.09 g/mol
Exact Mass819.39
IUPAC Name5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc(C6CCCCC6)c4-5)c4ccc5ccccc5c4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C63H49N/c1-5-19-45(20-6-1)56-30-17-31-59-62(56)58-41-39-54(43-60(58)63(59,50-25-9-3-10-26-50)51-27-11-4-12-28-51)64(53-38-32-44-18-13-14-24-49(44)42-53)52-36-33-47(34-37-52)57-40-35-46-21-15-16-29-55(46)61(57)48-22-7-2-8-23-48/h2-4,7-18,21-43,45H,1,5-6,19-20H2
InChIKeyCDONPAUDCBQJGN-UHFFFAOYSA-N
XLogP17.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.09
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171741065
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170303690
N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171741056
N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine
CID 171740767
6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
CID 90140016
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 172526971
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 170303755
N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170303745
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163464467
1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286768

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine (CID 171741136) is 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine is c1ccc(-c2c(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc(C6CCCCC6)c4-5)c4ccc5ccccc5c4)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The InChIKey is CDONPAUDCBQJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N/c1-5-19-45(20-6-1)56-30-17-31-59-62(56)58-41-39-54(43-60(58)63(59,50-25-9-3-10-26-50)51-27-11-4-12-28-51)64(53-38-32-44-18-13-14-24-49(44)42-53)52-36-33-47(34-37-52)57-40-35-46-21-15-16-29-55(46)61(57)48-22-7-2-8-23-48/h2-4,7-18,21-43,45H,1,5-6,19-20H2.
What are the key properties of 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 820.09 g/mol, XLogP of 17.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171741136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).