N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine

C65H60N2 — CID 171416386

IUPACN-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCCCC4C(C)(C)C)cc3)c3ccc4ccccc4c3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C65H60N2/c1-63(2,3)61-30-17-18-43-65(61,49-32-37-53(38-33-49)66(51-24-11-7-12-25-51)52-26-13-8-14-27-52)50-34-39-54(40-35-50)67(55-36-31-46-20-15-16-23-48(46)44-55)56-41-42-58-60(45-56)64(4,5)59-29-19-28-57(62(58)59)47-21-9-6-10-22-47/h6-16,19-29,31-42,44-45,61H,17-18,30,43H2,1-5H3
InChIKeySAXYQRPOZCMMLN-UHFFFAOYSA-N
MW869.21 g/mol
LogP18.28
Rot. Bonds9

About N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine

N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine (PubChem CID 171416386) has the molecular formula C65H60N2 and a molecular weight of 869.21 g/mol. Its IUPAC name is N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine
PubChem CID171416386
Molecular FormulaC65H60N2
Molecular Weight869.21 g/mol
Exact Mass868.48
IUPAC NameN-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCCCC4C(C)(C)C)cc3)c3ccc4ccccc4c3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C65H60N2/c1-63(2,3)61-30-17-18-43-65(61,49-32-37-53(38-33-49)66(51-24-11-7-12-25-51)52-26-13-8-14-27-52)50-34-39-54(40-35-50)67(55-36-31-46-20-15-16-23-48(46)44-55)56-41-42-58-60(45-56)64(4,5)59-29-19-28-57(62(58)59)47-21-9-6-10-22-47/h6-16,19-29,31-42,44-45,61H,17-18,30,43H2,1-5H3
InChIKeySAXYQRPOZCMMLN-UHFFFAOYSA-N
XLogP18.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.21
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine
CID 171416145
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171416383
N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416412
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine
CID 171416221
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-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538672
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
9,9-dimethyl-5-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417762
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexyl]phenyl]-N-phenylfluoren-2-amine
CID 171416190

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine?
The IUPAC name of 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) is N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCCCC4C(C)(C)C)cc3)c3ccc4ccccc4c3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine?
The InChIKey is SAXYQRPOZCMMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H60N2/c1-63(2,3)61-30-17-18-43-65(61,49-32-37-53(38-33-49)66(51-24-11-7-12-25-51)52-26-13-8-14-27-52)50-34-39-54(40-35-50)67(55-36-31-46-20-15-16-23-48(46)44-55)56-41-42-58-60(45-56)64(4,5)59-29-19-28-57(62(58)59)47-21-9-6-10-22-47/h6-16,19-29,31-42,44-45,61H,17-18,30,43H2,1-5H3.
What are the key properties of N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine?
N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine has a molecular weight of 869.21 g/mol, XLogP of 18.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-5-phenylfluoren-2-amine is sourced from PubChem (CID 171416386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).