2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline

C50H37N — CID 144670337

IUPAC2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline
SMILESC=CC1=C(C=C)C(c2ccccc2)(c2ccccc2)c2cc3c(cc2N1c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3
InChIInChI=1S/C50H37N/c1-3-43-47(4-2)51(40-30-18-9-19-31-40)48-35-45-42(34-46(48)49(43,36-22-10-5-11-23-36)37-24-12-6-13-25-37)41-32-20-21-33-44(41)50(45,38-26-14-7-15-27-38)39-28-16-8-17-29-39/h3-35H,1-2H2
InChIKeyYFWRPHVYBIWNLU-UHFFFAOYSA-N
MW651.85 g/mol
LogP12.16
Rot. Bonds7

About 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline

2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline (PubChem CID 144670337) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline
PubChem CID144670337
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC Name2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline
SMILESC=CC1=C(C=C)C(c2ccccc2)(c2ccccc2)c2cc3c(cc2N1c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3
InChIInChI=1S/C50H37N/c1-3-43-47(4-2)51(40-30-18-9-19-31-40)48-35-45-42(34-46(48)49(43,36-22-10-5-11-23-36)37-24-12-6-13-25-37)41-32-20-21-33-44(41)50(45,38-26-14-7-15-27-38)39-28-16-8-17-29-39/h3-35H,1-2H2
InChIKeyYFWRPHVYBIWNLU-UHFFFAOYSA-N
XLogP12.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2',3'-bis(ethenyl)-1'-phenylspiro[fluorene-9,4'-quinoline]-4-amine
CID 171545464
2-ethenyl-9,9-diphenylfluorene
CID 144583514
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 71004390
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
21,21-dimethyl-14-phenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249599
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]
CID 143268877
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
8,14-diphenyl-5,17-bis(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 169282185

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline?
The IUPAC name of 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline (CID 144670337) is 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline.
What is the SMILES notation for 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline?
The canonical SMILES for 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline is C=CC1=C(C=C)C(c2ccccc2)(c2ccccc2)c2cc3c(cc2N1c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3.
What is the InChIKey of 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline?
The InChIKey is YFWRPHVYBIWNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-3-43-47(4-2)51(40-30-18-9-19-31-40)48-35-45-42(34-46(48)49(43,36-22-10-5-11-23-36)37-24-12-6-13-25-37)41-32-20-21-33-44(41)50(45,38-26-14-7-15-27-38)39-28-16-8-17-29-39/h3-35H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline?
2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline has a molecular weight of 651.85 g/mol, XLogP of 12.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1,4,4,10,10-pentakis-phenylindeno[1,2-g]quinoline is sourced from PubChem (CID 144670337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).