10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene

C49H34 — CID 140863269

IUPAC10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)cc21
InChIInChI=1S/C49H34/c1-49(2)45-23-13-12-20-38(45)39-26-25-34(30-46(39)49)48-41-22-11-10-21-40(41)47(31-14-4-3-5-15-31)44-29-33(24-27-42(44)48)43-28-32-16-6-7-17-35(32)36-18-8-9-19-37(36)43/h3-30H,1-2H3
InChIKeyGHCCAAYXDXCCEY-UHFFFAOYSA-N
MW622.81 g/mol
LogP13.61
Rot. Bonds3

About 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene

10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene (PubChem CID 140863269) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
PubChem CID140863269
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)cc21
InChIInChI=1S/C49H34/c1-49(2)45-23-13-12-20-38(45)39-26-25-34(30-46(39)49)48-41-22-11-10-21-40(41)47(31-14-4-3-5-15-31)44-29-33(24-27-42(44)48)43-28-32-16-6-7-17-35(32)36-18-8-9-19-37(36)43/h3-30H,1-2H3
InChIKeyGHCCAAYXDXCCEY-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

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
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 59195515
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
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159207941
2,10-bis(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene
CID 162005752
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-phenanthren-9-yl-9,10-bis(4-phenylphenyl)anthracene;2,9,10-tris(4-phenylphenyl)anthracene
CID 158293217
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-1-ylanthracen-9-yl)-9,10-diphenylanthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 160908060
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942127
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenylanthracene
CID 159919561
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-phenylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2,10-bis(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene
CID 159535482

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene (CID 140863269) is 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene?
The InChIKey is GHCCAAYXDXCCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-49(2)45-23-13-12-20-38(45)39-26-25-34(30-46(39)49)48-41-22-11-10-21-40(41)47(31-14-4-3-5-15-31)44-29-33(24-27-42(44)48)43-28-32-16-6-7-17-35(32)36-18-8-9-19-37(36)43/h3-30H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene?
10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene 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 10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene is sourced from PubChem (CID 140863269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).