N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine

C63H55NS — CID 170176412

IUPACN-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(C4CCCCC4)cc3-c3ccccc3)cc21
InChIInChI=1S/C63H55NS/c1-63(2)59-36-22-21-35-56(59)62-58(48-27-13-5-14-28-48)44-51(45-60(62)63)64(61-42-37-49(46-23-9-3-10-24-46)43-57(61)47-25-11-4-12-26-47)50-38-40-55(41-39-50)65(52-29-15-6-16-30-52,53-31-17-7-18-32-53)54-33-19-8-20-34-54/h4-8,11-22,25-46H,3,9-10,23-24H2,1-2H3
InChIKeyUQPDQGMVTSVLNK-UHFFFAOYSA-N
MW858.21 g/mol
LogP18.19
Rot. Bonds10

About N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine

N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine (PubChem CID 170176412) has the molecular formula C63H55NS and a molecular weight of 858.21 g/mol. Its IUPAC name is N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
PubChem CID170176412
Molecular FormulaC63H55NS
Molecular Weight858.21 g/mol
Exact Mass857.41
IUPAC NameN-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(C4CCCCC4)cc3-c3ccccc3)cc21
InChIInChI=1S/C63H55NS/c1-63(2)59-36-22-21-35-56(59)62-58(48-27-13-5-14-28-48)44-51(45-60(62)63)64(61-42-37-49(46-23-9-3-10-24-46)43-57(61)47-25-11-4-12-26-47)50-38-40-55(41-39-50)65(52-29-15-6-16-30-52,53-31-17-7-18-32-53)54-33-19-8-20-34-54/h4-8,11-22,25-46H,3,9-10,23-24H2,1-2H3
InChIKeyUQPDQGMVTSVLNK-UHFFFAOYSA-N
XLogP18.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.21
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

5-N-(4-cycloheptylphenyl)-11-N-(4-cyclohexylphenyl)-5-N-(9,9-dimethyl-4-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660841
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739044
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(4-phenylphenyl)fluoren-2-amine
CID 168739230
N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774060
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168739013
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4-phenylfluoren-2-amine
CID 168739124
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739443
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine (CID 170176412) is N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(C4CCCCC4)cc3-c3ccccc3)cc21.
What is the InChIKey of N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine?
The InChIKey is UQPDQGMVTSVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H55NS/c1-63(2)59-36-22-21-35-56(59)62-58(48-27-13-5-14-28-48)44-51(45-60(62)63)64(61-42-37-49(46-23-9-3-10-24-46)43-57(61)47-25-11-4-12-26-47)50-38-40-55(41-39-50)65(52-29-15-6-16-30-52,53-31-17-7-18-32-53)54-33-19-8-20-34-54/h4-8,11-22,25-46H,3,9-10,23-24H2,1-2H3.
What are the key properties of N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine?
N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine has a molecular weight of 858.21 g/mol, XLogP of 18.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-4-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170176412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).