N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine

C69H75N — CID 166021013

IUPACN,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc(-c4ccc(C5CCCCCCC5)cc4)cc3)c3ccc(C4CCCCC4)cc3)cc1C2(c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C69H75N/c1-2-7-17-50(18-8-3-1)54-27-29-55(30-28-54)59-37-45-63(46-38-59)70(62-43-35-58(36-44-62)53-23-13-6-14-24-53)64-47-48-66-65-25-15-16-26-67(65)69(68(66)49-64,60-39-31-56(32-40-60)51-19-9-4-10-20-51)61-41-33-57(34-42-61)52-21-11-5-12-22-52/h15-16,25-53H,1-14,17-24H2
InChIKeyCMXJAIKJJOTYGC-UHFFFAOYSA-N
MW918.37 g/mol
LogP20.16
Rot. Bonds10

About N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine

N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine (PubChem CID 166021013) has the molecular formula C69H75N and a molecular weight of 918.37 g/mol. Its IUPAC name is N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
PubChem CID166021013
Molecular FormulaC69H75N
Molecular Weight918.37 g/mol
Exact Mass917.59
IUPAC NameN,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc(-c4ccc(C5CCCCCCC5)cc4)cc3)c3ccc(C4CCCCC4)cc3)cc1C2(c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C69H75N/c1-2-7-17-50(18-8-3-1)54-27-29-55(30-28-54)59-37-45-63(46-38-59)70(62-43-35-58(36-44-62)53-23-13-6-14-24-53)64-47-48-66-65-25-15-16-26-67(65)69(68(66)49-64,60-39-31-56(32-40-60)51-19-9-4-10-20-51)61-41-33-57(34-42-61)52-21-11-5-12-22-52/h15-16,25-53H,1-14,17-24H2
InChIKeyCMXJAIKJJOTYGC-UHFFFAOYSA-N
XLogP20.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.37
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
CID 166021012
2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174278817
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
CID 139568403
9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 166021010

Frequently Asked Questions

What is the IUPAC name of N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine (CID 166021013) is N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine is c1ccc2c(c1)-c1ccc(N(c3ccc(-c4ccc(C5CCCCCCC5)cc4)cc3)c3ccc(C4CCCCC4)cc3)cc1C2(c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine?
The InChIKey is CMXJAIKJJOTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H75N/c1-2-7-17-50(18-8-3-1)54-27-29-55(30-28-54)59-37-45-63(46-38-59)70(62-43-35-58(36-44-62)53-23-13-6-14-24-53)64-47-48-66-65-25-15-16-26-67(65)69(68(66)49-64,60-39-31-56(32-40-60)51-19-9-4-10-20-51)61-41-33-57(34-42-61)52-21-11-5-12-22-52/h15-16,25-53H,1-14,17-24H2.
What are the key properties of N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine?
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine has a molecular weight of 918.37 g/mol, XLogP of 20.16, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 166021013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).