9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene

C74H59N — CID 162723202

IUPAC9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc23)c2ccccc12.Cc1ccc(-c2ccccc2)cc1-c1c(C)cccc1-c1ccccc1
InChIInChI=1S/C48H37N.C26H22/c1-32-21-27-40(38-16-8-7-15-37(32)38)41-28-30-47(43-19-10-9-17-39(41)43)49(35-24-22-34(23-25-35)33-13-5-4-6-14-33)36-26-29-46-44(31-36)42-18-11-12-20-45(42)48(46,2)3;1-19-16-17-23(21-11-5-3-6-12-21)18-25(19)26-20(2)10-9-15-24(26)22-13-7-4-8-14-22/h4-31H,1-3H3;3-18H,1-2H3
InChIKeyUTFBWEFZDNGBKC-UHFFFAOYSA-N
MW962.29 g/mol
LogP20.72
Rot. Bonds8

About 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene

9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene (PubChem CID 162723202) has the molecular formula C74H59N and a molecular weight of 962.29 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene
PubChem CID162723202
Molecular FormulaC74H59N
Molecular Weight962.29 g/mol
Exact Mass961.46
IUPAC Name9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc23)c2ccccc12.Cc1ccc(-c2ccccc2)cc1-c1c(C)cccc1-c1ccccc1
InChIInChI=1S/C48H37N.C26H22/c1-32-21-27-40(38-16-8-7-15-37(32)38)41-28-30-47(43-19-10-9-17-39(41)43)49(35-24-22-34(23-25-35)33-13-5-4-6-14-33)36-26-29-46-44(31-36)42-18-11-12-20-45(42)48(46,2)3;1-19-16-17-23(21-11-5-3-6-12-21)18-25(19)26-20(2)10-9-15-24(26)22-13-7-4-8-14-22/h4-31H,1-3H3;3-18H,1-2H3
InChIKeyUTFBWEFZDNGBKC-UHFFFAOYSA-N
XLogP20.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.29
LogP ≤ 520.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine
CID 168933165
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168789629
N-[3-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 170665738
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373636
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene?
The IUPAC name of 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene (CID 162723202) is 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene.
What is the SMILES notation for 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene?
The canonical SMILES for 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene is Cc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc23)c2ccccc12.Cc1ccc(-c2ccccc2)cc1-c1c(C)cccc1-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene?
The InChIKey is UTFBWEFZDNGBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N.C26H22/c1-32-21-27-40(38-16-8-7-15-37(32)38)41-28-30-47(43-19-10-9-17-39(41)43)49(35-24-22-34(23-25-35)33-13-5-4-6-14-33)36-26-29-46-44(31-36)42-18-11-12-20-45(42)48(46,2)3;1-19-16-17-23(21-11-5-3-6-12-21)18-25(19)26-20(2)10-9-15-24(26)22-13-7-4-8-14-22/h4-31H,1-3H3;3-18H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene?
9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene has a molecular weight of 962.29 g/mol, XLogP of 20.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene is sourced from PubChem (CID 162723202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).