9-methyl-10-phenanthren-3-ylanthracene

C29H20 — CID 123866149

IUPAC9-methyl-10-phenanthren-3-ylanthracene
SMILESCc1c2ccccc2c(-c2ccc3ccc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C29H20/c1-19-23-9-4-6-12-26(23)29(27-13-7-5-10-24(19)27)22-17-16-21-15-14-20-8-2-3-11-25(20)28(21)18-22/h2-18H,1H3
InChIKeyISHZCVIOKSIQFK-UHFFFAOYSA-N
MW368.48 g/mol
LogP8.27
Rot. Bonds1

About 9-methyl-10-phenanthren-3-ylanthracene

9-methyl-10-phenanthren-3-ylanthracene (PubChem CID 123866149) has the molecular formula C29H20 and a molecular weight of 368.48 g/mol. Its IUPAC name is 9-methyl-10-phenanthren-3-ylanthracene.

Molecular Properties

Compound Name9-methyl-10-phenanthren-3-ylanthracene
PubChem CID123866149
Molecular FormulaC29H20
Molecular Weight368.48 g/mol
Exact Mass368.16
IUPAC Name9-methyl-10-phenanthren-3-ylanthracene
SMILESCc1c2ccccc2c(-c2ccc3ccc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C29H20/c1-19-23-9-4-6-12-26(23)29(27-13-7-5-10-24(19)27)22-17-16-21-15-14-20-8-2-3-11-25(20)28(21)18-22/h2-18H,1H3
InChIKeyISHZCVIOKSIQFK-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane
CID 144703476
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
ethane;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
CID 143847474
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 91497188
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-phenanthren-3-ylanthracene?
The IUPAC name of 9-methyl-10-phenanthren-3-ylanthracene (CID 123866149) is 9-methyl-10-phenanthren-3-ylanthracene.
What is the SMILES notation for 9-methyl-10-phenanthren-3-ylanthracene?
The canonical SMILES for 9-methyl-10-phenanthren-3-ylanthracene is Cc1c2ccccc2c(-c2ccc3ccc4ccccc4c3c2)c2ccccc12.
What is the InChIKey of 9-methyl-10-phenanthren-3-ylanthracene?
The InChIKey is ISHZCVIOKSIQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20/c1-19-23-9-4-6-12-26(23)29(27-13-7-5-10-24(19)27)22-17-16-21-15-14-20-8-2-3-11-25(20)28(21)18-22/h2-18H,1H3.
What are the key properties of 9-methyl-10-phenanthren-3-ylanthracene?
9-methyl-10-phenanthren-3-ylanthracene has a molecular weight of 368.48 g/mol, XLogP of 8.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-phenanthren-3-ylanthracene is sourced from PubChem (CID 123866149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).