N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine

C71H72N2 — CID 171416141

IUPACN-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)CCCCC4C(C)(C)C)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C71H72N2/c1-68(2,3)66-26-15-16-41-71(66,54-29-35-59(36-30-54)72(56-20-11-7-12-21-56)58-33-27-53(28-34-58)70-46-49-42-50(47-70)44-51(43-49)48-70)55-31-37-60(38-32-55)73(57-22-13-8-14-23-57)61-39-40-63-65(45-61)69(4,5)64-25-17-24-62(67(63)64)52-18-9-6-10-19-52/h6-14,17-25,27-40,45,49-51,66H,15-16,26,41-44,46-48H2,1-5H3
InChIKeyLPBABGHGJKGFJZ-UHFFFAOYSA-N
MW953.37 g/mol
LogP19.59
Rot. Bonds10

About N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine

N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine (PubChem CID 171416141) has the molecular formula C71H72N2 and a molecular weight of 953.37 g/mol. Its IUPAC name is N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
PubChem CID171416141
Molecular FormulaC71H72N2
Molecular Weight953.37 g/mol
Exact Mass952.57
IUPAC NameN-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)CCCCC4C(C)(C)C)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C71H72N2/c1-68(2,3)66-26-15-16-41-71(66,54-29-35-59(36-30-54)72(56-20-11-7-12-21-56)58-33-27-53(28-34-58)70-46-49-42-50(47-70)44-51(43-49)48-70)55-31-37-60(38-32-55)73(57-22-13-8-14-23-57)61-39-40-63-65(45-61)69(4,5)64-25-17-24-62(67(63)64)52-18-9-6-10-19-52/h6-14,17-25,27-40,45,49-51,66H,15-16,26,41-44,46-48H2,1-5H3
InChIKeyLPBABGHGJKGFJZ-UHFFFAOYSA-N
XLogP19.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.37
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-N,5-diphenylfluoren-2-amine
CID 171416145
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
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-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101
N-[4-[4-tert-butyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416412
N-[4-[4-tert-butyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416333
3-N-[4-(1-adamantyl)phenyl]-18-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404029
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 170529514
1-N-[4-(1-adamantyl)phenyl]-3-N-(9,9-dimethylfluoren-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 155421662

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The IUPAC name of 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) is N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)CCCCC4C(C)(C)C)cc3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
The InChIKey is LPBABGHGJKGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H72N2/c1-68(2,3)66-26-15-16-41-71(66,54-29-35-59(36-30-54)72(56-20-11-7-12-21-56)58-33-27-53(28-34-58)70-46-49-42-50(47-70)44-51(43-49)48-70)55-31-37-60(38-32-55)73(57-22-13-8-14-23-57)61-39-40-63-65(45-61)69(4,5)64-25-17-24-62(67(63)64)52-18-9-6-10-19-52/h6-14,17-25,27-40,45,49-51,66H,15-16,26,41-44,46-48H2,1-5H3.
What are the key properties of N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?
N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine has a molecular weight of 953.37 g/mol, XLogP of 19.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine is sourced from PubChem (CID 171416141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).