11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene

C49H34 — CID 156677070

IUPAC11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C49H34/c1-49(2)45-26-25-36(29-43(45)44-28-33-15-6-7-16-34(33)30-46(44)49)47-37-18-8-10-20-39(37)48(40-21-11-9-19-38(40)47)41-22-12-17-32-23-24-35(27-42(32)41)31-13-4-3-5-14-31/h3-30H,1-2H3
InChIKeySLPKPWWDLUZEMX-UHFFFAOYSA-N
MW622.81 g/mol
LogP13.61
Rot. Bonds3

About 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene

11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene (PubChem CID 156677070) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene
PubChem CID156677070
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C49H34/c1-49(2)45-26-25-36(29-43(45)44-28-33-15-6-7-16-34(33)30-46(44)49)47-37-18-8-10-20-39(37)48(40-21-11-9-19-38(40)47)41-22-12-17-32-23-24-35(27-42(32)41)31-13-4-3-5-14-31/h3-30H,1-2H3
InChIKeySLPKPWWDLUZEMX-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

3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
11,11-dimethyl-3-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724676
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
11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 159335184
11,11-dimethyl-3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724986
11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-(10-phenylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 159999208
11,11-dimethyl-3-(10-phenanthren-2-ylanthracen-9-yl)benzo[b]fluorene
CID 140724201
2,9-bis(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 160579929
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414
11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 160671642
7,7-dimethyl-9-naphthalen-2-yl-4-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 163838484

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene?
The IUPAC name of 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene (CID 156677070) is 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene.
What is the SMILES notation for 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene?
The canonical SMILES for 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene is CC1(C)c2ccc(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene?
The InChIKey is SLPKPWWDLUZEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-49(2)45-26-25-36(29-43(45)44-28-33-15-6-7-16-34(33)30-46(44)49)47-37-18-8-10-20-39(37)48(40-21-11-9-19-38(40)47)41-22-12-17-32-23-24-35(27-42(32)41)31-13-4-3-5-14-31/h3-30H,1-2H3.
What are the key properties of 11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene?
11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]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-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene is sourced from PubChem (CID 156677070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).