3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene

C59H69N — CID 145362449

IUPAC3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene
SMILESCC.CC.CC.CC/C=C\C1=C(CC)C(C)(C)c2cc(C)ccc21.Cc1ccccc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C28H19N.C18H24.C7H8.3C2H6/c1-2-8-20(9-3-1)21-14-17-23(18-15-21)29-26-13-7-6-12-25(26)28-24-11-5-4-10-22(24)16-19-27(28)29;1-6-8-9-14-15-11-10-13(3)12-17(15)18(4,5)16(14)7-2;1-7-5-3-2-4-6-7;3*1-2/h1-19H;8-12H,6-7H2,1-5H3;2-6H,1H3;3*1-2H3/b;9-8-;;;;
InChIKeyYCZIDMOLBMYPDY-PIHSWGNGSA-N
MW792.21 g/mol
LogP18.09
Rot. Bonds5

About 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene

3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene (PubChem CID 145362449) has the molecular formula C59H69N and a molecular weight of 792.21 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene
PubChem CID145362449
Molecular FormulaC59H69N
Molecular Weight792.21 g/mol
Exact Mass791.54
IUPAC Name3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene
SMILESCC.CC.CC.CC/C=C\C1=C(CC)C(C)(C)c2cc(C)ccc21.Cc1ccccc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C28H19N.C18H24.C7H8.3C2H6/c1-2-8-20(9-3-1)21-14-17-23(18-15-21)29-26-13-7-6-12-25(26)28-24-11-5-4-10-22(24)16-19-27(28)29;1-6-8-9-14-15-11-10-13(3)12-17(15)18(4,5)16(14)7-2;1-7-5-3-2-4-6-7;3*1-2/h1-19H;8-12H,6-7H2,1-5H3;2-6H,1H3;3*1-2H3/b;9-8-;;;;
InChIKeyYCZIDMOLBMYPDY-PIHSWGNGSA-N
XLogP18.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.21
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162005580
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CID 168771532
9-[4-(3-methylphenyl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
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CID 66635542
7-[4-(4-methylphenyl)phenyl]-10-naphthalen-1-ylbenzo[c]carbazole
CID 123149938
7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
CID 139298795
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CID 177101254
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CID 118349550
9,9-dimethyl-N-[4-[6-(6-methyl-9-phenylcarbazol-3-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-ylfluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 160882230

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene?
The IUPAC name of 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene (CID 145362449) is 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene?
The canonical SMILES for 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene is CC.CC.CC.CC/C=C\C1=C(CC)C(C)(C)c2cc(C)ccc21.Cc1ccccc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene?
The InChIKey is YCZIDMOLBMYPDY-PIHSWGNGSA-N. The full InChI is InChI=1S/C28H19N.C18H24.C7H8.3C2H6/c1-2-8-20(9-3-1)21-14-17-23(18-15-21)29-26-13-7-6-12-25(26)28-24-11-5-4-10-22(24)16-19-27(28)29;1-6-8-9-14-15-11-10-13(3)12-17(15)18(4,5)16(14)7-2;1-7-5-3-2-4-6-7;3*1-2/h1-19H;8-12H,6-7H2,1-5H3;2-6H,1H3;3*1-2H3/b;9-8-;;;;.
What are the key properties of 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene?
3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene has a molecular weight of 792.21 g/mol, XLogP of 18.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene is sourced from PubChem (CID 145362449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).