3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine

C67H56N2 — CID 177286665

IUPAC3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C67H56N2/c1-67(2)64-33-18-17-30-62(64)63-41-40-57(46-65(63)67)69(55-37-34-49(35-38-55)47-20-7-3-8-21-47)59-44-53(66-60(50-23-9-4-10-24-50)31-19-32-61(66)51-25-11-5-12-26-51)43-58(45-59)68(54-28-13-6-14-29-54)56-39-36-48-22-15-16-27-52(48)42-56/h4-6,9-19,22-47H,3,7-8,20-21H2,1-2H3
InChIKeyBXHCXWHAACKQLE-UHFFFAOYSA-N
MW889.20 g/mol
LogP19.13
Rot. Bonds10

About 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine

3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine (PubChem CID 177286665) has the molecular formula C67H56N2 and a molecular weight of 889.20 g/mol. Its IUPAC name is 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
PubChem CID177286665
Molecular FormulaC67H56N2
Molecular Weight889.20 g/mol
Exact Mass888.44
IUPAC Name3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C67H56N2/c1-67(2)64-33-18-17-30-62(64)63-41-40-57(46-65(63)67)69(55-37-34-49(35-38-55)47-20-7-3-8-21-47)59-44-53(66-60(50-23-9-4-10-24-50)31-19-32-61(66)51-25-11-5-12-26-51)43-58(45-59)68(54-28-13-6-14-29-54)56-39-36-48-22-15-16-27-52(48)42-56/h4-6,9-19,22-47H,3,7-8,20-21H2,1-2H3
InChIKeyBXHCXWHAACKQLE-UHFFFAOYSA-N
XLogP19.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.20
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine with MolForge

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Related Compounds

1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286768
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
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
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-3-N-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 176611782
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438871
N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771662

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine (CID 177286665) is 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)cc21.
What is the InChIKey of 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine?
The InChIKey is BXHCXWHAACKQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2/c1-67(2)64-33-18-17-30-62(64)63-41-40-57(46-65(63)67)69(55-37-34-49(35-38-55)47-20-7-3-8-21-47)59-44-53(66-60(50-23-9-4-10-24-50)31-19-32-61(66)51-25-11-5-12-26-51)43-58(45-59)68(54-28-13-6-14-29-54)56-39-36-48-22-15-16-27-52(48)42-56/h4-6,9-19,22-47H,3,7-8,20-21H2,1-2H3.
What are the key properties of 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine?
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine has a molecular weight of 889.20 g/mol, XLogP of 19.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 177286665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).