3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene

C28H26 — CID 143254746

IUPAC3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene
SMILESCC1=C(C2=C(c3ccccc3)c3c(ccc4ccccc34)C2(C)C)CCC=C1
InChIInChI=1S/C28H26/c1-19-11-7-9-15-22(19)27-25(21-13-5-4-6-14-21)26-23-16-10-8-12-20(23)17-18-24(26)28(27,2)3/h4-8,10-14,16-18H,9,15H2,1-3H3
InChIKeyYDKUEWLDHNWNFY-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.60
Rot. Bonds2

About 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene

3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene (PubChem CID 143254746) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene
PubChem CID143254746
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene
SMILESCC1=C(C2=C(c3ccccc3)c3c(ccc4ccccc34)C2(C)C)CCC=C1
InChIInChI=1S/C28H26/c1-19-11-7-9-15-22(19)27-25(21-13-5-4-6-14-21)26-23-16-10-8-12-20(23)17-18-24(26)28(27,2)3/h4-8,10-14,16-18H,9,15H2,1-3H3
InChIKeyYDKUEWLDHNWNFY-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
11,11-dimethylpentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 145100459
N,N-bis(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 130290230
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140725023
9-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,15-trimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479668
13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene
CID 142347601
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
1,2-dihydrophenanthrene;methane
CID 142233557
CID 175958969
CID 175958969

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene?
The IUPAC name of 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene (CID 143254746) is 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene.
What is the SMILES notation for 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene?
The canonical SMILES for 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene is CC1=C(C2=C(c3ccccc3)c3c(ccc4ccccc34)C2(C)C)CCC=C1.
What is the InChIKey of 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene?
The InChIKey is YDKUEWLDHNWNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-19-11-7-9-15-22(19)27-25(21-13-5-4-6-14-21)26-23-16-10-8-12-20(23)17-18-24(26)28(27,2)3/h4-8,10-14,16-18H,9,15H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene?
3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene has a molecular weight of 362.52 g/mol, XLogP of 7.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)-1-phenylcyclopenta[a]naphthalene is sourced from PubChem (CID 143254746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).