3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene

C49H34 — CID 140942127

IUPAC3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccccc6)c6ccccc6c5c4)c4ccccc34)cc21
InChIInChI=1S/C49H34/c1-49(2)45-23-13-12-18-37(45)38-27-26-34(30-46(38)49)48-41-21-10-8-19-39(41)47(40-20-9-11-22-42(40)48)33-25-24-32-28-43(31-14-4-3-5-15-31)35-16-6-7-17-36(35)44(32)29-33/h3-30H,1-2H3
InChIKeyMYDUPUZEBDJEBS-UHFFFAOYSA-N
MW622.81 g/mol
LogP13.61
Rot. Bonds3

About 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene

3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene (PubChem CID 140942127) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene.

Molecular Properties

Compound Name3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
PubChem CID140942127
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccccc6)c6ccccc6c5c4)c4ccccc34)cc21
InChIInChI=1S/C49H34/c1-49(2)45-23-13-12-18-37(45)38-27-26-34(30-46(38)49)48-41-21-10-8-19-39(41)47(40-20-9-11-22-42(40)48)33-25-24-32-28-43(31-14-4-3-5-15-31)35-16-6-7-17-36(35)44(32)29-33/h3-30H,1-2H3
InChIKeyMYDUPUZEBDJEBS-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.81
LogP ≤ 513.61
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

10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
CID 140863269
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-naphthalen-1-ylphenanthrene
CID 140942184
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-phenanthren-9-yl-9,10-bis(4-phenylphenyl)anthracene
CID 157129330
2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 161191738
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159596787
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 160677802
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene?
The IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene (CID 140942127) is 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene.
What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene?
The canonical SMILES for 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccccc6)c6ccccc6c5c4)c4ccccc34)cc21.
What is the InChIKey of 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene?
The InChIKey is MYDUPUZEBDJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-49(2)45-23-13-12-18-37(45)38-27-26-34(30-46(38)49)48-41-21-10-8-19-39(41)47(40-20-9-11-22-42(40)48)33-25-24-32-28-43(31-14-4-3-5-15-31)35-16-6-7-17-36(35)44(32)29-33/h3-30H,1-2H3.
What are the key properties of 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene?
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene has a molecular weight of 622.81 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene is sourced from PubChem (CID 140942127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).