11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene

C49H34 — CID 144583230

IUPAC11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H34/c1-49(2)45-30-35(27-28-39(45)44-29-26-32-13-4-6-16-38(32)48(44)49)47-42-19-9-7-17-40(42)46(41-18-8-10-20-43(41)47)34-24-22-33(23-25-34)37-21-11-14-31-12-3-5-15-36(31)37/h3-30H,1-2H3
InChIKeyPJQIVEKCBNMYOV-UHFFFAOYSA-N
MW622.81 g/mol
LogP13.61
Rot. Bonds3

About 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene

11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene (PubChem CID 144583230) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
PubChem CID144583230
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H34/c1-49(2)45-30-35(27-28-39(45)44-29-26-32-13-4-6-16-38(32)48(44)49)47-42-19-9-7-17-40(42)46(41-18-8-10-20-43(41)47)34-24-22-33(23-25-34)37-21-11-14-31-12-3-5-15-36(31)37/h3-30H,1-2H3
InChIKeyPJQIVEKCBNMYOV-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'}

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Related Compounds

11,11-dimethyl-8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 163751276
11,11-dimethyl-9-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene
CID 58194555
11,11-dimethyl-9-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 163947957
11,11-dimethyl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-9-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene;11,11-dimethyl-9-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene;11,11-dimethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 159357464
11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 140724696
11,11-dimethyl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene
CID 163596374
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;11,11-dimethyl-9-(10-phenylanthracen-9-yl)benzo[a]fluorene
CID 160962902
11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 159897883
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
CID 140724174
11,11-dimethyl-1-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724534
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene?
The IUPAC name of 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene (CID 144583230) is 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene.
What is the SMILES notation for 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene?
The canonical SMILES for 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene?
The InChIKey is PJQIVEKCBNMYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-49(2)45-30-35(27-28-39(45)44-29-26-32-13-4-6-16-38(32)48(44)49)47-42-19-9-7-17-40(42)46(41-18-8-10-20-43(41)47)34-24-22-33(23-25-34)37-21-11-14-31-12-3-5-15-36(31)37/h3-30H,1-2H3.
What are the key properties of 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene?
11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene 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 11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene is sourced from PubChem (CID 144583230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).