11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene

C55H38 — CID 140724696

IUPAC11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
SMILESCC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C55H38/c1-55(2)53-43-20-6-4-15-36(43)32-33-50(53)49-27-13-26-44(54(49)55)39-17-11-18-40(34-39)52-47-23-9-7-21-45(47)51(46-22-8-10-24-48(46)52)38-30-28-37(29-31-38)42-25-12-16-35-14-3-5-19-41(35)42/h3-34H,1-2H3
InChIKeyIHJHCTKQZZNKQW-UHFFFAOYSA-N
MW698.91 g/mol
LogP15.27
Rot. Bonds4

About 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene

11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene (PubChem CID 140724696) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
PubChem CID140724696
Molecular FormulaC55H38
Molecular Weight698.91 g/mol
Exact Mass698.30
IUPAC Name11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
SMILESCC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C55H38/c1-55(2)53-43-20-6-4-15-36(43)32-33-50(53)49-27-13-26-44(54(49)55)39-17-11-18-40(34-39)52-47-23-9-7-21-45(47)51(46-22-8-10-24-48(46)52)38-30-28-37(29-31-38)42-25-12-16-35-14-3-5-19-41(35)42/h3-34H,1-2H3
InChIKeyIHJHCTKQZZNKQW-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 515.27
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-10-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 157498925
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-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 144583230
4-[3-[10-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421355
11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 144802961
7,7-dimethyl-8-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161283904
5-[10-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;11,11-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 158676912
25,25-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 140725746
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
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
7,7-dimethyl-8-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-8-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 158483199

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene?
The IUPAC name of 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene (CID 140724696) is 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene.
What is the SMILES notation for 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene?
The canonical SMILES for 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene is CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene?
The InChIKey is IHJHCTKQZZNKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-55(2)53-43-20-6-4-15-36(43)32-33-50(53)49-27-13-26-44(54(49)55)39-17-11-18-40(34-39)52-47-23-9-7-21-45(47)51(46-22-8-10-24-48(46)52)38-30-28-37(29-31-38)42-25-12-16-35-14-3-5-19-41(35)42/h3-34H,1-2H3.
What are the key properties of 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene?
11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene has a molecular weight of 698.91 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene is sourced from PubChem (CID 140724696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).