3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine

C59H55N3 — CID 177117435

IUPAC3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(C4CCC(C)CC4)cc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc1C2(C)C
InChIInChI=1S/C59H55N3/c1-42-28-30-44(31-29-42)45-32-34-50(35-33-45)62(51-36-37-55-57(41-51)59(3,4)56-27-17-18-43(2)58(55)56)54-39-52(60(46-19-9-5-10-20-46)47-21-11-6-12-22-47)38-53(40-54)61(48-23-13-7-14-24-48)49-25-15-8-16-26-49/h5-27,32-42,44H,28-31H2,1-4H3
InChIKeyAYAYZJRNBTZEDT-UHFFFAOYSA-N
MW806.11 g/mol
LogP17.00
Rot. Bonds10

About 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine

3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine (PubChem CID 177117435) has the molecular formula C59H55N3 and a molecular weight of 806.11 g/mol. Its IUPAC name is 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
PubChem CID177117435
Molecular FormulaC59H55N3
Molecular Weight806.11 g/mol
Exact Mass805.44
IUPAC Name3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(C4CCC(C)CC4)cc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc1C2(C)C
InChIInChI=1S/C59H55N3/c1-42-28-30-44(31-29-42)45-32-34-50(35-33-45)62(51-36-37-55-57(41-51)59(3,4)56-27-17-18-43(2)58(55)56)54-39-52(60(46-19-9-5-10-20-46)47-21-11-6-12-22-47)38-53(40-54)61(48-23-13-7-14-24-48)49-25-15-8-16-26-49/h5-27,32-42,44H,28-31H2,1-4H3
InChIKeyAYAYZJRNBTZEDT-UHFFFAOYSA-N
XLogP17.00
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.11
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine with MolForge

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Related Compounds

(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(5,9,9-trimethylfluoren-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170779845
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117407
2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine
CID 58232279
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 176611544
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-(3-cyclohexylnaphthalen-2-yl)phenyl]-5,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171740788
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
CID 171741066
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
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232307

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine?
The IUPAC name of 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine (CID 177117435) is 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine.
What is the SMILES notation for 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine?
The canonical SMILES for 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine is Cc1cccc2c1-c1ccc(N(c3ccc(C4CCC(C)CC4)cc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc1C2(C)C.
What is the InChIKey of 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine?
The InChIKey is AYAYZJRNBTZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H55N3/c1-42-28-30-44(31-29-42)45-32-34-50(35-33-45)62(51-36-37-55-57(41-51)59(3,4)56-27-17-18-43(2)58(55)56)54-39-52(60(46-19-9-5-10-20-46)47-21-11-6-12-22-47)38-53(40-54)61(48-23-13-7-14-24-48)49-25-15-8-16-26-49/h5-27,32-42,44H,28-31H2,1-4H3.
What are the key properties of 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine?
3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine has a molecular weight of 806.11 g/mol, XLogP of 17.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine is sourced from PubChem (CID 177117435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).