7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline

C26H28N2 — CID 123773941

IUPAC7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline
SMILESCc1cc(C2=CCCC=C2)c2c(n1)C1=NC(C)CC(C3C=CC=CC3)=C1CC2
InChIInChI=1S/C26H28N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3,5-7,9,11-12,16-17,19H,4,8,10,13-15H2,1-2H3
InChIKeySHXNAGYDZJRZDF-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.08
Rot. Bonds2

About 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline

7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline (PubChem CID 123773941) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline.

Molecular Properties

Compound Name7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline
PubChem CID123773941
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline
SMILESCc1cc(C2=CCCC=C2)c2c(n1)C1=NC(C)CC(C3C=CC=CC3)=C1CC2
InChIInChI=1S/C26H28N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3,5-7,9,11-12,16-17,19H,4,8,10,13-15H2,1-2H3
InChIKeySHXNAGYDZJRZDF-UHFFFAOYSA-N
XLogP6.08
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 123256945
2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 166744328
4-tert-butyl-2-(5-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1-pyridin-3-ylimidazol-2-yl)phenol
CID 163815898
7-cyclohexa-1,5-dien-1-yl-2-ethyl-9-methyl-4-phenyl-1,10-phenanthroline
CID 174365415
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene
CID 123176490
2-(4a,8a-dihydronaphthalen-2-yl)-4-cyclohexa-2,4-dien-1-yl-6-(7-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167007710
2-cyclohexa-1,5-dien-1-yl-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 130184267
12-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-16-(2,6-dimethylphenyl)-25-naphthalen-2-yl-16-aza-1-boraoctacyclo[15.13.1.122,26.02,15.04,13.06,11.021,31.030,32]dotriaconta-2,4,6,8,10,12,14,17,19,21(31),22,24,26,28,30(32)-pentadecaene-19-carbonitrile
CID 163566513
2,9-dimethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenyl-1,10-phenanthroline
CID 146321201
2-[2-[2-[(4aR,12aS)-4a,7,8,8b,12a,12b-hexahydrotriphenylen-2-yl]phenyl]phenyl]-4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazine
CID 170381922
1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene
CID 174023509
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline?
The IUPAC name of 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline (CID 123773941) is 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline.
What is the SMILES notation for 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline?
The canonical SMILES for 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline is Cc1cc(C2=CCCC=C2)c2c(n1)C1=NC(C)CC(C3C=CC=CC3)=C1CC2.
What is the InChIKey of 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline?
The InChIKey is SHXNAGYDZJRZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3,5-7,9,11-12,16-17,19H,4,8,10,13-15H2,1-2H3.
What are the key properties of 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline?
7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline has a molecular weight of 368.52 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-2,9-dimethyl-2,3,5,6-tetrahydro-1,10-phenanthroline is sourced from PubChem (CID 123773941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).