1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione

C40H24O2 — CID 102360983

IUPAC1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)c2cc3cc4c(-c5ccccc5)c(-c5ccccc5)c(=O)c4cc3cc12
InChIInChI=1S/C40H24O2/c41-39-33-23-30-24-34-32(36(26-15-7-2-8-16-26)38(40(34)42)28-19-11-4-12-20-28)22-29(30)21-31(33)35(25-13-5-1-6-14-25)37(39)27-17-9-3-10-18-27/h1-24H
InChIKeyDIMAPMBZNZJSSK-UHFFFAOYSA-N
MW536.63 g/mol
LogP9.41
Rot. Bonds4

About 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione

1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione (PubChem CID 102360983) has the molecular formula C40H24O2 and a molecular weight of 536.63 g/mol. Its IUPAC name is 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione.

Molecular Properties

Compound Name1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione
PubChem CID102360983
Molecular FormulaC40H24O2
Molecular Weight536.63 g/mol
Exact Mass536.18
IUPAC Name1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)c2cc3cc4c(-c5ccccc5)c(-c5ccccc5)c(=O)c4cc3cc12
InChIInChI=1S/C40H24O2/c41-39-33-23-30-24-34-32(36(26-15-7-2-8-16-26)38(40(34)42)28-19-11-4-12-20-28)22-29(30)21-31(33)35(25-13-5-1-6-14-25)37(39)27-17-9-3-10-18-27/h1-24H
InChIKeyDIMAPMBZNZJSSK-UHFFFAOYSA-N
XLogP9.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 11393471
6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 163600910
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile
CID 129184944
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
cyclopenta[b]naphthalene-1,2,3-trione
CID 581122
3,14-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123826742
7,11,12,13,14,18,29,33,34,35,36,40,51,55,56,57,58,62-octadecakis-phenylnonadecacyclo[44.20.4.42,23.424,45.06,19.08,17.010,15.028,41.030,39.032,37.049,69.050,63.052,61.054,59.064,68.05,77.020,76.027,73.042,72]octaheptaconta-1(67),2(78),3,5(77),6,8,10(15),11,13,16,18,20(76),21,23(75),24(74),25,27(73),28,30,32(37),33,35,38,40,42(72),43,45(71),46(70),47,49(69),50,52,54(59),55,57,60,62,64(68),65-nonatriacontaene
CID 175687169
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
2-phenyl-3-sulfanylcycloprop-2-en-1-one
CID 12695478

Frequently Asked Questions

What is the IUPAC name of 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione?
The IUPAC name of 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione (CID 102360983) is 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione.
What is the SMILES notation for 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione?
The canonical SMILES for 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione is O=c1c(-c2ccccc2)c(-c2ccccc2)c2cc3cc4c(-c5ccccc5)c(-c5ccccc5)c(=O)c4cc3cc12.
What is the InChIKey of 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione?
The InChIKey is DIMAPMBZNZJSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O2/c41-39-33-23-30-24-34-32(36(26-15-7-2-8-16-26)38(40(34)42)28-19-11-4-12-20-28)22-29(30)21-31(33)35(25-13-5-1-6-14-25)37(39)27-17-9-3-10-18-27/h1-24H.
What are the key properties of 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione?
1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione has a molecular weight of 536.63 g/mol, XLogP of 9.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7,8-tetraphenylindeno[5,6-f]indene-3,6-dione is sourced from PubChem (CID 102360983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).