2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene

C35H32 — CID 22117997

IUPAC2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene
SMILESCCC1=C(CC2=C(CC)Cc3c2cccc3-c2ccccc2)c2cccc(-c3ccccc3)c2C1
InChIInChI=1S/C35H32/c1-3-24-21-34-28(26-13-7-5-8-14-26)17-11-19-30(34)32(24)23-33-25(4-2)22-35-29(18-12-20-31(33)35)27-15-9-6-10-16-27/h5-20H,3-4,21-23H2,1-2H3
InChIKeyKQYHQHNWCKTXCD-UHFFFAOYSA-N
MW452.64 g/mol
LogP9.55
Rot. Bonds6

About 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene

2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene (PubChem CID 22117997) has the molecular formula C35H32 and a molecular weight of 452.64 g/mol. Its IUPAC name is 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene.

Molecular Properties

Compound Name2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene
PubChem CID22117997
Molecular FormulaC35H32
Molecular Weight452.64 g/mol
Exact Mass452.25
IUPAC Name2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene
SMILESCCC1=C(CC2=C(CC)Cc3c2cccc3-c2ccccc2)c2cccc(-c3ccccc3)c2C1
InChIInChI=1S/C35H32/c1-3-24-21-34-28(26-13-7-5-8-14-26)17-11-19-30(34)32(24)23-33-25(4-2)22-35-29(18-12-20-31(33)35)27-15-9-6-10-16-27/h5-20H,3-4,21-23H2,1-2H3
InChIKeyKQYHQHNWCKTXCD-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-phenyl-2-[2-(7-phenyl-3-propan-2-yl-1H-inden-2-yl)ethyl]-3-propan-2-yl-1H-indene
CID 20656351
(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667552
2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134509781
3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one
CID 159606911
benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane
CID 173140107
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667594
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene?
The IUPAC name of 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene (CID 22117997) is 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene.
What is the SMILES notation for 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene?
The canonical SMILES for 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene is CCC1=C(CC2=C(CC)Cc3c2cccc3-c2ccccc2)c2cccc(-c3ccccc3)c2C1.
What is the InChIKey of 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene?
The InChIKey is KQYHQHNWCKTXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32/c1-3-24-21-34-28(26-13-7-5-8-14-26)17-11-19-30(34)32(24)23-33-25(4-2)22-35-29(18-12-20-31(33)35)27-15-9-6-10-16-27/h5-20H,3-4,21-23H2,1-2H3.
What are the key properties of 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene?
2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene has a molecular weight of 452.64 g/mol, XLogP of 9.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene is sourced from PubChem (CID 22117997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).