11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene

C49H34 — CID 140724884

IUPAC11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4cccc5ccccc45)c4ccccc34)c21
InChIInChI=1S/C49H34/c1-49(2)45-30-33-17-4-3-16-32(33)29-44(45)42-27-14-28-43(48(42)49)47-40-24-11-9-22-38(40)46(39-23-10-12-25-41(39)47)37-21-8-7-20-36(37)35-26-13-18-31-15-5-6-19-34(31)35/h3-30H,1-2H3
InChIKeyKGSGZHVDBOKZCH-UHFFFAOYSA-N
MW622.81 g/mol
LogP13.61
Rot. Bonds3

About 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene

11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene (PubChem CID 140724884) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
PubChem CID140724884
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4cccc5ccccc45)c4ccccc34)c21
InChIInChI=1S/C49H34/c1-49(2)45-30-33-17-4-3-16-32(33)29-44(45)42-27-14-28-43(48(42)49)47-40-24-11-9-22-38(40)46(39-23-10-12-25-41(39)47)37-21-8-7-20-36(37)35-26-13-18-31-15-5-6-19-34(31)35/h3-30H,1-2H3
InChIKeyKGSGZHVDBOKZCH-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-3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724986
11,11-dimethyl-3-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724676
11,11-dimethyl-1-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724534
4-[10-(11,11-dimethylbenzo[h]fluoren-1-yl)anthracen-9-yl]dibenzofuran
CID 121421222
21,21-dimethyl-19-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724877
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
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
CID 140724269
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene
CID 160587878

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene?
The IUPAC name of 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene (CID 140724884) is 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene.
What is the SMILES notation for 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene?
The canonical SMILES for 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4cccc5ccccc45)c4ccccc34)c21.
What is the InChIKey of 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene?
The InChIKey is KGSGZHVDBOKZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-49(2)45-30-33-17-4-3-16-32(33)29-44(45)42-27-14-28-43(48(42)49)47-40-24-11-9-22-38(40)46(39-23-10-12-25-41(39)47)37-21-8-7-20-36(37)35-26-13-18-31-15-5-6-19-34(31)35/h3-30H,1-2H3.
What are the key properties of 11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene?
11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)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-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene is sourced from PubChem (CID 140724884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).