7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine

C63H52N2 — CID 90129005

IUPAC7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine
SMILESCCC1(CC)c2cc(/C=C(/Cc3cccc4c3c3ccccc3n4C)c3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1cccc3c1-c1ccccc1C3C)c1ccccc21
InChIInChI=1S/C63H52N2/c1-5-63(6-2)54-38-42(37-45(43-21-9-7-10-22-43)39-44-23-19-33-57-60(44)53-30-17-18-32-56(53)64(57)4)35-36-52(54)61-51-29-16-14-27-49(51)59(40-55(61)63)65(46-24-11-8-12-25-46)58-34-20-31-48-41(3)47-26-13-15-28-50(47)62(48)58/h7-38,40-41H,5-6,39H2,1-4H3/b45-37-
InChIKeyFCOPBSROPYNTSA-CLXDUWGSSA-N
MW837.12 g/mol
LogP16.96
Rot. Bonds9

About 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine

7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine (PubChem CID 90129005) has the molecular formula C63H52N2 and a molecular weight of 837.12 g/mol. Its IUPAC name is 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine.

Molecular Properties

Compound Name7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine
PubChem CID90129005
Molecular FormulaC63H52N2
Molecular Weight837.12 g/mol
Exact Mass836.41
IUPAC Name7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine
SMILESCCC1(CC)c2cc(/C=C(/Cc3cccc4c3c3ccccc3n4C)c3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1cccc3c1-c1ccccc1C3C)c1ccccc21
InChIInChI=1S/C63H52N2/c1-5-63(6-2)54-38-42(37-45(43-21-9-7-10-22-43)39-44-23-19-33-57-60(44)53-30-17-18-32-56(53)64(57)4)35-36-52(54)61-51-29-16-14-27-49(51)59(40-55(61)63)65(46-24-11-8-12-25-46)58-34-20-31-48-41(3)47-26-13-15-28-50(47)62(48)58/h7-38,40-41H,5-6,39H2,1-4H3/b45-37-
InChIKeyFCOPBSROPYNTSA-CLXDUWGSSA-N
XLogP16.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.12
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
CID 144614546
N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
CID 90129003
N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine
CID 144613690
9-methyl-N-phenyl-N-[4-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]-9H-fluoren-4-amine
CID 70853893
N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
CID 144614559
3-[(1Z)-buta-1,3-dienyl]-1,2,4-trimethylindole;2,5-dimethylbenzonitrile;3,9-dimethyl-5-(N-(9-methylcarbazol-4-yl)anilino)-7,7-dipropylbenzo[c]fluorene-2-carbonitrile;ethane
CID 144614737
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
CID 89075006
5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine
CID 144614699
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine
CID 90128734
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine?
The IUPAC name of 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine (CID 90129005) is 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine.
What is the SMILES notation for 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine?
The canonical SMILES for 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine is CCC1(CC)c2cc(/C=C(/Cc3cccc4c3c3ccccc3n4C)c3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1cccc3c1-c1ccccc1C3C)c1ccccc21.
What is the InChIKey of 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine?
The InChIKey is FCOPBSROPYNTSA-CLXDUWGSSA-N. The full InChI is InChI=1S/C63H52N2/c1-5-63(6-2)54-38-42(37-45(43-21-9-7-10-22-43)39-44-23-19-33-57-60(44)53-30-17-18-32-56(53)64(57)4)35-36-52(54)61-51-29-16-14-27-49(51)59(40-55(61)63)65(46-24-11-8-12-25-46)58-34-20-31-48-41(3)47-26-13-15-28-50(47)62(48)58/h7-38,40-41H,5-6,39H2,1-4H3/b45-37-.
What are the key properties of 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine?
7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine has a molecular weight of 837.12 g/mol, XLogP of 16.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine is sourced from PubChem (CID 90129005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).