N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine

C67H62N2 — CID 171416333

IUPACN-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)CCC(C(C)(C)C)CC4)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C67H62N2/c1-65(2,3)51-43-45-67(46-44-51,52-31-37-57(38-32-52)68(54-23-14-8-15-24-54)56-35-29-49(30-36-56)48-19-10-6-11-20-48)53-33-39-58(40-34-53)69(55-25-16-9-17-26-55)59-41-42-61-63(47-59)66(4,5)62-28-18-27-60(64(61)62)50-21-12-7-13-22-50/h6-42,47,51H,43-46H2,1-5H3
InChIKeyDDWZWRJBCWCAGJ-UHFFFAOYSA-N
MW895.25 g/mol
LogP18.79
Rot. Bonds10

About N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine

N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine (PubChem CID 171416333) has the molecular formula C67H62N2 and a molecular weight of 895.25 g/mol. Its IUPAC name is N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
PubChem CID171416333
Molecular FormulaC67H62N2
Molecular Weight895.25 g/mol
Exact Mass894.49
IUPAC NameN-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)CCC(C(C)(C)C)CC4)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C67H62N2/c1-65(2,3)51-43-45-67(46-44-51,52-31-37-57(38-32-52)68(54-23-14-8-15-24-54)56-35-29-49(30-36-56)48-19-10-6-11-20-48)53-33-39-58(40-34-53)69(55-25-16-9-17-26-55)59-41-42-61-63(47-59)66(4,5)62-28-18-27-60(64(61)62)50-21-12-7-13-22-50/h6-42,47,51H,43-46H2,1-5H3
InChIKeyDDWZWRJBCWCAGJ-UHFFFAOYSA-N
XLogP18.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.25
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
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,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine
CID 171416145
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-1-phenylpyridin-1-ium-4-amine
CID 171416399
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
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
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,5-diphenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538829

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The IUPAC name of N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine (CID 171416333) is N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)CCC(C(C)(C)C)CC4)cc3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The InChIKey is DDWZWRJBCWCAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H62N2/c1-65(2,3)51-43-45-67(46-44-51,52-31-37-57(38-32-52)68(54-23-14-8-15-24-54)56-35-29-49(30-36-56)48-19-10-6-11-20-48)53-33-39-58(40-34-53)69(55-25-16-9-17-26-55)59-41-42-61-63(47-59)66(4,5)62-28-18-27-60(64(61)62)50-21-12-7-13-22-50/h6-42,47,51H,43-46H2,1-5H3.
What are the key properties of N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine has a molecular weight of 895.25 g/mol, XLogP of 18.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine is sourced from PubChem (CID 171416333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).