3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene

C28H26 — CID 123223971

IUPAC3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene
SMILESC=c1ccc(Cc2cc3ccccc3c3cc(C)ccc23)cc1=C(C)C=CC
InChIInChI=1S/C28H26/c1-5-8-20(3)27-17-22(13-12-21(27)4)16-24-18-23-9-6-7-10-25(23)28-15-19(2)11-14-26(24)28/h5-15,17-18H,4,16H2,1-3H3
InChIKeyVBKGNCIXCDVZER-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.05
Rot. Bonds3

About 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene

3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene (PubChem CID 123223971) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene.

Molecular Properties

Compound Name3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene
PubChem CID123223971
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene
SMILESC=c1ccc(Cc2cc3ccccc3c3cc(C)ccc23)cc1=C(C)C=CC
InChIInChI=1S/C28H26/c1-5-8-20(3)27-17-22(13-12-21(27)4)16-24-18-23-9-6-7-10-25(23)28-15-19(2)11-14-26(24)28/h5-15,17-18H,4,16H2,1-3H3
InChIKeyVBKGNCIXCDVZER-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.05
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

3-methyl-10-[[10-(phenanthren-3-ylmethyl)phenanthren-3-yl]methyl]phenanthrene
CID 123325766
3-methyl-1-[(3-methylphenanthren-1-yl)methyl]phenanthrene
CID 158013989
2-(phenanthren-9-ylmethyl)phenanthrene
CID 161235111
5-methyl-2-(phenanthren-9-ylmethyl)aniline
CID 154946620
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
2,7-dimethyltriphenylene
CID 23261750
10,16-bis[(4-methylphenyl)methyl]-12,14-dioxa-13λ6-thiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13,13-dioxide
CID 59155403
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
azane;1-benzyl-3-methylnaphthalene
CID 174691048
N,N-bis(phenanthren-3-ylmethyl)ethanamine;N,N-bis(phenanthren-9-ylmethyl)ethanamine;N-(phenanthren-3-ylmethyl)-N-(phenanthren-9-ylmethyl)ethanamine
CID 159085119
ethane;2-methyltriphenylene
CID 91569125

Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene?
The IUPAC name of 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene (CID 123223971) is 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene.
What is the SMILES notation for 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene?
The canonical SMILES for 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene is C=c1ccc(Cc2cc3ccccc3c3cc(C)ccc23)cc1=C(C)C=CC.
What is the InChIKey of 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene?
The InChIKey is VBKGNCIXCDVZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-5-8-20(3)27-17-22(13-12-21(27)4)16-24-18-23-9-6-7-10-25(23)28-15-19(2)11-14-26(24)28/h5-15,17-18H,4,16H2,1-3H3.
What are the key properties of 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene?
3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene has a molecular weight of 362.52 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-[(4-methylidene-3-pent-3-en-2-ylidenecyclohexa-1,5-dien-1-yl)methyl]phenanthrene is sourced from PubChem (CID 123223971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).