9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine

C70H61N — CID 89368395

IUPAC9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine
SMILESC=Cc1cccc(CCCCC2(CCCCc3cccc(C=C)c3)c3cc(C(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)c1
InChIInChI=1S/C70H61N/c1-3-51-25-19-27-53(47-51)23-15-17-45-70(46-18-16-24-54-28-20-26-52(4-2)48-54)66-49-58(69(57-31-7-5-8-32-57)65-39-21-33-55-29-11-13-37-61(55)65)41-43-63(66)64-44-42-60(50-67(64)70)71(59-35-9-6-10-36-59)68-40-22-34-56-30-12-14-38-62(56)68/h3-14,19-22,25-44,47-50,69H,1-2,15-18,23-24,45-46H2
InChIKeyOLIKWHBWXPDLLH-UHFFFAOYSA-N
MW916.27 g/mol
LogP19.02
Rot. Bonds18

About 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine

9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine (PubChem CID 89368395) has the molecular formula C70H61N and a molecular weight of 916.27 g/mol. Its IUPAC name is 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine
PubChem CID89368395
Molecular FormulaC70H61N
Molecular Weight916.27 g/mol
Exact Mass915.48
IUPAC Name9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine
SMILESC=Cc1cccc(CCCCC2(CCCCc3cccc(C=C)c3)c3cc(C(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)c1
InChIInChI=1S/C70H61N/c1-3-51-25-19-27-53(47-51)23-15-17-45-70(46-18-16-24-54-28-20-26-52(4-2)48-54)66-49-58(69(57-31-7-5-8-32-57)65-39-21-33-55-29-11-13-37-61(55)65)41-43-63(66)64-44-42-60(50-67(64)70)71(59-35-9-6-10-36-59)68-40-22-34-56-30-12-14-38-62(56)68/h3-14,19-22,25-44,47-50,69H,1-2,15-18,23-24,45-46H2
InChIKeyOLIKWHBWXPDLLH-UHFFFAOYSA-N
XLogP19.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.27
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 123336841
9,9-bis[4-[3-(1,3-dioxolan-2-yl)phenyl]butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58028489
N-(4-ethenylphenyl)-17-[(4-ethenylphenyl)-naphthalen-1-ylmethyl]-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaen-4-amine
CID 139545375
9,9-bis[4-(3-ethenylphenyl)butyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;2-N,7-N-bis(4-ethenylphenyl)-9,9-dihexyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N,N-bis(4-ethenylphenyl)aniline;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;N-(3-ethenylphenyl)-N-[4-[4-[4-[4-(N-(3-ethenylphenyl)-3-methylanilino)phenyl]phenyl]phenyl]phenyl]-3-methylaniline
CID 162117695
9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
CID 121276313
3-[(9,9-dihexylfluoren-2-yl)-naphthalen-1-ylamino]benzoic acid
CID 139978889
9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 154603864
N-[4-[9,9-bis[(4-ethenylphenyl)methyl]fluoren-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166977720
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 157288223
2-N,7-N-bis(4-ethenylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
CID 159874682
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine (CID 89368395) is 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine is C=Cc1cccc(CCCCC2(CCCCc3cccc(C=C)c3)c3cc(C(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)c1.
What is the InChIKey of 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine?
The InChIKey is OLIKWHBWXPDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H61N/c1-3-51-25-19-27-53(47-51)23-15-17-45-70(46-18-16-24-54-28-20-26-52(4-2)48-54)66-49-58(69(57-31-7-5-8-32-57)65-39-21-33-55-29-11-13-37-61(55)65)41-43-63(66)64-44-42-60(50-67(64)70)71(59-35-9-6-10-36-59)68-40-22-34-56-30-12-14-38-62(56)68/h3-14,19-22,25-44,47-50,69H,1-2,15-18,23-24,45-46H2.
What are the key properties of 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine?
9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine has a molecular weight of 916.27 g/mol, XLogP of 19.02, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(3-ethenylphenyl)butyl]-N-naphthalen-1-yl-7-[naphthalen-1-yl(phenyl)methyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 89368395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).