11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene

C35H26 — CID 171742980

IUPAC11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc3c(ccc4cc(-c5ccccc5)ccc43)c21
InChIInChI=1S/C35H26/c1-35(2)33-22-26(24-11-7-4-8-12-24)14-17-30(33)32-20-19-29-28-16-13-25(23-9-5-3-6-10-23)21-27(28)15-18-31(29)34(32)35/h3-22H,1-2H3
InChIKeyDLZFCQUQFVXHTF-UHFFFAOYSA-N
MW446.59 g/mol
LogP9.63
Rot. Bonds2

About 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene

11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene (PubChem CID 171742980) has the molecular formula C35H26 and a molecular weight of 446.59 g/mol. Its IUPAC name is 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene.

Molecular Properties

Compound Name11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene
PubChem CID171742980
Molecular FormulaC35H26
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc3c(ccc4cc(-c5ccccc5)ccc43)c21
InChIInChI=1S/C35H26/c1-35(2)33-22-26(24-11-7-4-8-12-24)14-17-30(33)32-20-19-29-28-16-13-25(23-9-5-3-6-10-23)21-27(28)15-18-31(29)34(32)35/h3-22H,1-2H3
InChIKeyDLZFCQUQFVXHTF-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
CID 58569367
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
CID 140710807
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234
11,11-dimethyl-9-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 163947957
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene?
The IUPAC name of 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene (CID 171742980) is 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene.
What is the SMILES notation for 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene?
The canonical SMILES for 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc3c(ccc4cc(-c5ccccc5)ccc43)c21.
What is the InChIKey of 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene?
The InChIKey is DLZFCQUQFVXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26/c1-35(2)33-22-26(24-11-7-4-8-12-24)14-17-30(33)32-20-19-29-28-16-13-25(23-9-5-3-6-10-23)21-27(28)15-18-31(29)34(32)35/h3-22H,1-2H3.
What are the key properties of 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene?
11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene has a molecular weight of 446.59 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene is sourced from PubChem (CID 171742980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).