7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine

C65H66N2 — CID 91594091

IUPAC7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine
SMILESC=CC=C(C)N(C(=C)C=CC)c1ccc2c(c1)C(C)(C)c1cc(C=C(c3ccc4c(c3)C(C)(C)c3cc(N(c5cccc(C)c5)c5ccc6ccccc6c5)ccc3-4)C(C)(CC)CC)ccc1-2
InChIInChI=1S/C65H66N2/c1-13-20-44(6)66(45(7)21-14-2)52-30-34-56-54-32-26-46(38-59(54)63(8,9)61(56)41-52)37-58(65(12,15-3)16-4)49-28-33-55-57-35-31-53(42-62(57)64(10,11)60(55)40-49)67(50-25-19-22-43(5)36-50)51-29-27-47-23-17-18-24-48(47)39-51/h13-14,17-42H,1,7,15-16H2,2-6,8-12H3
InChIKeySSMPMBHYWOVGRC-UHFFFAOYSA-N
MW875.26 g/mol
LogP18.58
Rot. Bonds13

About 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine

7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine (PubChem CID 91594091) has the molecular formula C65H66N2 and a molecular weight of 875.26 g/mol. Its IUPAC name is 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine.

Molecular Properties

Compound Name7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine
PubChem CID91594091
Molecular FormulaC65H66N2
Molecular Weight875.26 g/mol
Exact Mass874.52
IUPAC Name7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine
SMILESC=CC=C(C)N(C(=C)C=CC)c1ccc2c(c1)C(C)(C)c1cc(C=C(c3ccc4c(c3)C(C)(C)c3cc(N(c5cccc(C)c5)c5ccc6ccccc6c5)ccc3-4)C(C)(CC)CC)ccc1-2
InChIInChI=1S/C65H66N2/c1-13-20-44(6)66(45(7)21-14-2)52-30-34-56-54-32-26-46(38-59(54)63(8,9)61(56)41-52)37-58(65(12,15-3)16-4)49-28-33-55-57-35-31-53(42-62(57)64(10,11)60(55)40-49)67(50-25-19-22-43(5)36-50)51-29-27-47-23-17-18-24-48(47)39-51/h13-14,17-42H,1,7,15-16H2,2-6,8-12H3
InChIKeySSMPMBHYWOVGRC-UHFFFAOYSA-N
XLogP18.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.26
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine with MolForge

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Related Compounds

7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine
CID 59246107
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89067686
9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067733
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
7-[(E)-2-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246385
7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-(3-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-N-(4-tert-butylphenyl)-9,9-dimethyl-N-(3-methylphenyl)fluoren-2-amine
CID 59245944
7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 123499199
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067755
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997

Frequently Asked Questions

What is the IUPAC name of 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine?
The IUPAC name of 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine (CID 91594091) is 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine.
What is the SMILES notation for 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine?
The canonical SMILES for 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine is C=CC=C(C)N(C(=C)C=CC)c1ccc2c(c1)C(C)(C)c1cc(C=C(c3ccc4c(c3)C(C)(C)c3cc(N(c5cccc(C)c5)c5ccc6ccccc6c5)ccc3-4)C(C)(CC)CC)ccc1-2.
What is the InChIKey of 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine?
The InChIKey is SSMPMBHYWOVGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H66N2/c1-13-20-44(6)66(45(7)21-14-2)52-30-34-56-54-32-26-46(38-59(54)63(8,9)61(56)41-52)37-58(65(12,15-3)16-4)49-28-33-55-57-35-31-53(42-62(57)64(10,11)60(55)40-49)67(50-25-19-22-43(5)36-50)51-29-27-47-23-17-18-24-48(47)39-51/h13-14,17-42H,1,7,15-16H2,2-6,8-12H3.
What are the key properties of 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine?
7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine has a molecular weight of 875.26 g/mol, XLogP of 18.58, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]-3-ethyl-3-methylpent-1-enyl]-9,9-dimethyl-N-penta-1,3-dien-2-yl-N-penta-2,4-dien-2-ylfluoren-2-amine is sourced from PubChem (CID 91594091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).