N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine

C57H45N — CID 144950157

IUPACN-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(N(c2cccc(C3=CCC(C)C=C3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C57H45N/c1-40-25-29-42(30-26-40)44-17-14-22-49(37-44)58(48-32-27-41(2)28-33-48)50-34-36-54-53-35-31-45(52-24-13-12-23-51(52)43-15-6-3-7-16-43)38-55(53)57(56(54)39-50,46-18-8-4-9-19-46)47-20-10-5-11-21-47/h3-25,27-40H,26H2,1-2H3
InChIKeyQLMCGGFRXBSAJT-UHFFFAOYSA-N
MW743.99 g/mol
LogP15.14
Rot. Bonds8

About N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine

N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine (PubChem CID 144950157) has the molecular formula C57H45N and a molecular weight of 743.99 g/mol. Its IUPAC name is N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
PubChem CID144950157
Molecular FormulaC57H45N
Molecular Weight743.99 g/mol
Exact Mass743.36
IUPAC NameN-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(N(c2cccc(C3=CCC(C)C=C3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C57H45N/c1-40-25-29-42(30-26-40)44-17-14-22-49(37-44)58(48-32-27-41(2)28-33-48)50-34-36-54-53-35-31-45(52-24-13-12-23-51(52)43-15-6-3-7-16-43)38-55(53)57(56(54)39-50,46-18-8-4-9-19-46)47-20-10-5-11-21-47/h3-25,27-40H,26H2,1-2H3
InChIKeyQLMCGGFRXBSAJT-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.99
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
CID 142481137
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-[4-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[2-[3-[9-(4-methylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-N,4-diphenylaniline;7'-[9-(4-methylphenyl)carbazol-3-yl]-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;7-[9-(4-methylphenyl)carbazol-3-yl]-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160565250
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine
CID 158817105

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine (CID 144950157) is N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine is Cc1ccc(N(c2cccc(C3=CCC(C)C=C3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4-c4ccccc4)ccc2-3)cc1.
What is the InChIKey of N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is QLMCGGFRXBSAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N/c1-40-25-29-42(30-26-40)44-17-14-22-49(37-44)58(48-32-27-41(2)28-33-48)50-34-36-54-53-35-31-45(52-24-13-12-23-51(52)43-15-6-3-7-16-43)38-55(53)57(56(54)39-50,46-18-8-4-9-19-46)47-20-10-5-11-21-47/h3-25,27-40H,26H2,1-2H3.
What are the key properties of N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine?
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 743.99 g/mol, XLogP of 15.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144950157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).