9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine

C58H52N2 — CID 171416145

IUPAC9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine
SMILESCC1CCCCC1(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cccc(-c4ccccc4)c2-3)cc1
InChIInChI=1S/C58H52N2/c1-42-19-16-17-40-58(42,44-30-34-49(35-31-44)59(46-22-10-5-11-23-46)47-24-12-6-13-25-47)45-32-36-50(37-33-45)60(48-26-14-7-15-27-48)51-38-39-53-55(41-51)57(2,3)54-29-18-28-52(56(53)54)43-20-8-4-9-21-43/h4-15,18,20-39,41-42H,16-17,19,40H2,1-3H3
InChIKeyZIYKOAYOHPXXFQ-UHFFFAOYSA-N
MW777.07 g/mol
LogP16.10
Rot. Bonds9

About 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine

9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine (PubChem CID 171416145) has the molecular formula C58H52N2 and a molecular weight of 777.07 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine
PubChem CID171416145
Molecular FormulaC58H52N2
Molecular Weight777.07 g/mol
Exact Mass776.41
IUPAC Name9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine
SMILESCC1CCCCC1(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cccc(-c4ccccc4)c2-3)cc1
InChIInChI=1S/C58H52N2/c1-42-19-16-17-40-58(42,44-30-34-49(35-31-44)59(46-22-10-5-11-23-46)47-24-12-6-13-25-47)45-32-36-50(37-33-45)60(48-26-14-7-15-27-48)51-38-39-53-55(41-51)57(2,3)54-29-18-28-52(56(53)54)43-20-8-4-9-21-43/h4-15,18,20-39,41-42H,16-17,19,40H2,1-3H3
InChIKeyZIYKOAYOHPXXFQ-UHFFFAOYSA-N
XLogP16.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.07
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171416383
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine
CID 171416190
N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine
CID 171416386
N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416141
N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416412
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416333
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
9,9-dimethyl-N,5-diphenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538829
9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine
CID 171416432
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine (CID 171416145) is 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine is CC1CCCCC1(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cccc(-c4ccccc4)c2-3)cc1.
What is the InChIKey of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine?
The InChIKey is ZIYKOAYOHPXXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52N2/c1-42-19-16-17-40-58(42,44-30-34-49(35-31-44)59(46-22-10-5-11-23-46)47-24-12-6-13-25-47)45-32-36-50(37-33-45)60(48-26-14-7-15-27-48)51-38-39-53-55(41-51)57(2,3)54-29-18-28-52(56(53)54)43-20-8-4-9-21-43/h4-15,18,20-39,41-42H,16-17,19,40H2,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine?
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine has a molecular weight of 777.07 g/mol, XLogP of 16.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine is sourced from PubChem (CID 171416145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).