2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene

C54H36 — CID 59766384

IUPAC2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
SMILESC1=Cc2c(ccc3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc8ccc9ccccc9c8c7)ccc6c(-c6ccccc6)c5c4)cc23)CC1
InChIInChI=1S/C54H36/c1-3-13-39(14-4-1)53-47-29-27-44(42-26-24-38-22-20-36-12-8-10-18-46(36)50(38)32-42)34-52(47)54(40-15-5-2-6-16-40)48-30-28-43(33-51(48)53)41-25-23-37-21-19-35-11-7-9-17-45(35)49(37)31-41/h1-7,9-11,13-34H,8,12H2
InChIKeyYMWMGAHPTVONHE-UHFFFAOYSA-N
MW684.88 g/mol
LogP15.08
Rot. Bonds4

About 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene

2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene (PubChem CID 59766384) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene.

Molecular Properties

Compound Name2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
PubChem CID59766384
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
SMILESC1=Cc2c(ccc3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc8ccc9ccccc9c8c7)ccc6c(-c6ccccc6)c5c4)cc23)CC1
InChIInChI=1S/C54H36/c1-3-13-39(14-4-1)53-47-29-27-44(42-26-24-38-22-20-36-12-8-10-18-46(36)50(38)32-42)34-52(47)54(40-15-5-2-6-16-40)48-30-28-43(33-51(48)53)41-25-23-37-21-19-35-11-7-9-17-45(35)49(37)31-41/h1-7,9-11,13-34H,8,12H2
InChIKeyYMWMGAHPTVONHE-UHFFFAOYSA-N
XLogP15.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 515.08
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

1,2-dihydrophenanthrene;methane
CID 142233557
CID 175958969
CID 175958969
9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984
8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole
CID 144703463
3,7,10-triphenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 58453949
9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159025961
4-benzo[a]anthracen-7-yl-2-(5,6-dihydronaphthalen-1-yl)benzenethiol
CID 167274212
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 89188215
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene?
The IUPAC name of 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene (CID 59766384) is 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene.
What is the SMILES notation for 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene?
The canonical SMILES for 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene is C1=Cc2c(ccc3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc8ccc9ccccc9c8c7)ccc6c(-c6ccccc6)c5c4)cc23)CC1.
What is the InChIKey of 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene?
The InChIKey is YMWMGAHPTVONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-3-13-39(14-4-1)53-47-29-27-44(42-26-24-38-22-20-36-12-8-10-18-46(36)50(38)32-42)34-52(47)54(40-15-5-2-6-16-40)48-30-28-43(33-51(48)53)41-25-23-37-21-19-35-11-7-9-17-45(35)49(37)31-41/h1-7,9-11,13-34H,8,12H2.
What are the key properties of 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene?
2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene has a molecular weight of 684.88 g/mol, XLogP of 15.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene is sourced from PubChem (CID 59766384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).