N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine

C67H53N — CID 177067043

IUPACN-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
SMILESCc1ccc(-c2cc(C)c(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc(C)c3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3cccc(C)c3)c3ccccc3-4)c(C)c2)cc1
InChIInChI=1S/C67H53N/c1-44-30-32-49(33-31-44)50-40-47(4)65(48(5)41-50)68(55-34-36-59-57-26-12-14-28-61(57)66(63(59)42-55,51-20-8-6-9-21-51)53-24-16-18-45(2)38-53)56-35-37-60-58-27-13-15-29-62(58)67(64(60)43-56,52-22-10-7-11-23-52)54-25-17-19-46(3)39-54/h6-43H,1-5H3
InChIKeyBEIGYWQIFCLWEC-UHFFFAOYSA-N
MW872.17 g/mol
LogP17.09
Rot. Bonds8

About N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine

N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine (PubChem CID 177067043) has the molecular formula C67H53N and a molecular weight of 872.17 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
PubChem CID177067043
Molecular FormulaC67H53N
Molecular Weight872.17 g/mol
Exact Mass871.42
IUPAC NameN-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
SMILESCc1ccc(-c2cc(C)c(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc(C)c3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3cccc(C)c3)c3ccccc3-4)c(C)c2)cc1
InChIInChI=1S/C67H53N/c1-44-30-32-49(33-31-44)50-40-47(4)65(48(5)41-50)68(55-34-36-59-57-26-12-14-28-61(57)66(63(59)42-55,51-20-8-6-9-21-51)53-24-16-18-45(2)38-53)56-35-37-60-58-27-13-15-29-62(58)67(64(60)43-56,52-22-10-7-11-23-52)54-25-17-19-46(3)39-54/h6-43H,1-5H3
InChIKeyBEIGYWQIFCLWEC-UHFFFAOYSA-N
XLogP17.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.17
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118298346
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-methoxyphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 165011248
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
4-[4-[4-(9,9-diphenylfluoren-2-yl)-N-(2-methylphenyl)anilino]-3,5-dimethylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-dimethyl-N-(2-methylphenyl)aniline
CID 121322897
N-(4-dibenzofuran-4-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 118298114
N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 146578858
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381269
N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 155221170

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The IUPAC name of N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine (CID 177067043) is N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The canonical SMILES for N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine is Cc1ccc(-c2cc(C)c(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc(C)c3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3cccc(C)c3)c3ccccc3-4)c(C)c2)cc1.
What is the InChIKey of N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The InChIKey is BEIGYWQIFCLWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N/c1-44-30-32-49(33-31-44)50-40-47(4)65(48(5)41-50)68(55-34-36-59-57-26-12-14-28-61(57)66(63(59)42-55,51-20-8-6-9-21-51)53-24-16-18-45(2)38-53)56-35-37-60-58-27-13-15-29-62(58)67(64(60)43-56,52-22-10-7-11-23-52)54-25-17-19-46(3)39-54/h6-43H,1-5H3.
What are the key properties of N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine has a molecular weight of 872.17 g/mol, XLogP of 17.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-9-(3-methylphenyl)-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 177067043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).