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

C61H58N2 — CID 171416412

IUPACN-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCC(C(C)(C)C)CC4)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C61H58N2/c1-59(2,3)45-39-41-61(42-40-45,46-29-33-51(34-30-46)62(48-21-12-7-13-22-48)49-23-14-8-15-24-49)47-31-35-52(36-32-47)63(50-25-16-9-17-26-50)53-37-38-55-57(43-53)60(4,5)56-28-18-27-54(58(55)56)44-19-10-6-11-20-44/h6-38,43,45H,39-42H2,1-5H3
InChIKeyMYIUCVGCVRQVFK-UHFFFAOYSA-N
MW819.15 g/mol
LogP17.12
Rot. Bonds9

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

N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine (PubChem CID 171416412) has the molecular formula C61H58N2 and a molecular weight of 819.15 g/mol. Its IUPAC name is N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
PubChem CID171416412
Molecular FormulaC61H58N2
Molecular Weight819.15 g/mol
Exact Mass818.46
IUPAC NameN-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCC(C(C)(C)C)CC4)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C61H58N2/c1-59(2,3)45-39-41-61(42-40-45,46-29-33-51(34-30-46)62(48-21-12-7-13-22-48)49-23-14-8-15-24-49)47-31-35-52(36-32-47)63(50-25-16-9-17-26-50)53-37-38-55-57(43-53)60(4,5)56-28-18-27-54(58(55)56)44-19-10-6-11-20-44/h6-38,43,45H,39-42H2,1-5H3
InChIKeyMYIUCVGCVRQVFK-UHFFFAOYSA-N
XLogP17.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.15
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416333
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
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-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-[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-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine
CID 171416221
N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416446
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
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 N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The IUPAC name of N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine (CID 171416412) is N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)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-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)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-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The InChIKey is MYIUCVGCVRQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H58N2/c1-59(2,3)45-39-41-61(42-40-45,46-29-33-51(34-30-46)62(48-21-12-7-13-22-48)49-23-14-8-15-24-49)47-31-35-52(36-32-47)63(50-25-16-9-17-26-50)53-37-38-55-57(43-53)60(4,5)56-28-18-27-54(58(55)56)44-19-10-6-11-20-44/h6-38,43,45H,39-42H2,1-5H3.
What are the key properties of N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine has a molecular weight of 819.15 g/mol, XLogP of 17.12, 9 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-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine is sourced from PubChem (CID 171416412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).