N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C80H71NO — CID 154985544

IUPACN-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)(CC)[C@@H](C)CC(C)c1ccc(Oc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc43)cc2)cc1
InChIInChI=1S/C80H71NO/c1-7-78(6,8-2)57(5)52-56(4)58-36-46-68(47-37-58)82-69-48-40-64(41-49-69)80(63-38-32-55(3)33-39-63)75-31-21-19-29-71(75)73-51-45-67(54-77(73)80)81(65-42-34-60(35-43-65)59-22-12-9-13-23-59)66-44-50-72-70-28-18-20-30-74(70)79(76(72)53-66,61-24-14-10-15-25-61)62-26-16-11-17-27-62/h9-51,53-54,56-57H,7-8,52H2,1-6H3/t56?,57-,80?/m0/s1
InChIKeyMIJSZHCQRFNOAB-OSMAYRFFSA-N
MW1062.45 g/mol
LogP21.61
Rot. Bonds16

About N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 154985544) has the molecular formula C80H71NO and a molecular weight of 1062.45 g/mol. Its IUPAC name is N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID154985544
Molecular FormulaC80H71NO
Molecular Weight1062.45 g/mol
Exact Mass1061.55
IUPAC NameN-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)(CC)[C@@H](C)CC(C)c1ccc(Oc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc43)cc2)cc1
InChIInChI=1S/C80H71NO/c1-7-78(6,8-2)57(5)52-56(4)58-36-46-68(47-37-58)82-69-48-40-64(41-49-69)80(63-38-32-55(3)33-39-63)75-31-21-19-29-71(75)73-51-45-67(54-77(73)80)81(65-42-34-60(35-43-65)59-22-12-9-13-23-59)66-44-50-72-70-28-18-20-30-74(70)79(76(72)53-66,61-24-14-10-15-25-61)62-26-16-11-17-27-62/h9-51,53-54,56-57H,7-8,52H2,1-6H3/t56?,57-,80?/m0/s1
InChIKeyMIJSZHCQRFNOAB-OSMAYRFFSA-N
XLogP21.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.45
LogP ≤ 521.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-(4-butan-2-ylphenoxy)phenyl]-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 158206936
N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154985541
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154985535
N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine
CID 155606293
9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(4-tert-butylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(4-methylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159356354
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 155606387
N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155606335
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
CID 177067063
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 155606395

Frequently Asked Questions

What is the IUPAC name of N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 154985544) is N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)(CC)[C@@H](C)CC(C)c1ccc(Oc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc43)cc2)cc1.
What is the InChIKey of N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is MIJSZHCQRFNOAB-OSMAYRFFSA-N. The full InChI is InChI=1S/C80H71NO/c1-7-78(6,8-2)57(5)52-56(4)58-36-46-68(47-37-58)82-69-48-40-64(41-49-69)80(63-38-32-55(3)33-39-63)75-31-21-19-29-71(75)73-51-45-67(54-77(73)80)81(65-42-34-60(35-43-65)59-22-12-9-13-23-59)66-44-50-72-70-28-18-20-30-74(70)79(76(72)53-66,61-24-14-10-15-25-61)62-26-16-11-17-27-62/h9-51,53-54,56-57H,7-8,52H2,1-6H3/t56?,57-,80?/m0/s1.
What are the key properties of N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1062.45 g/mol, XLogP of 21.61, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 154985544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).