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

C102H70 — CID 157498925

IUPAC11,11-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
SMILESCC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C53H36.C49H34/c1-53(2)51-38-20-6-3-15-33(38)29-30-47(51)46-28-14-27-39(52(46)53)34-17-13-18-36(31-34)49-42-23-9-11-25-44(42)50(45-26-12-10-24-43(45)49)48-32-35-16-4-5-19-37(35)40-21-7-8-22-41(40)48;1-49(2)47-36-20-6-4-15-32(36)28-29-44(47)43-27-13-25-37(48(43)49)33-17-11-18-34(30-33)45-39-21-7-9-23-41(39)46(42-24-10-8-22-40(42)45)38-26-12-16-31-14-3-5-19-35(31)38/h3-32H,1-2H3;3-30H,1-2H3
InChIKeyBYECGSPARZPISS-UHFFFAOYSA-N
MW1295.68 g/mol
LogP28.37
Rot. Bonds6

About 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

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 (PubChem CID 157498925) has the molecular formula C102H70 and a molecular weight of 1295.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11,11-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
PubChem CID157498925
Molecular FormulaC102H70
Molecular Weight1295.68 g/mol
Exact Mass1294.55
IUPAC Name11,11-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
SMILESCC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C53H36.C49H34/c1-53(2)51-38-20-6-3-15-33(38)29-30-47(51)46-28-14-27-39(52(46)53)34-17-13-18-36(31-34)49-42-23-9-11-25-44(42)50(45-26-12-10-24-43(45)49)48-32-35-16-4-5-19-37(35)40-21-7-8-22-41(40)48;1-49(2)47-36-20-6-4-15-32(36)28-29-44(47)43-27-13-25-37(48(43)49)33-17-11-18-34(30-33)45-39-21-7-9-23-41(39)46(42-24-10-8-22-40(42)45)38-26-12-16-31-14-3-5-19-35(31)38/h3-32H,1-2H3;3-30H,1-2H3
InChIKeyBYECGSPARZPISS-UHFFFAOYSA-N
XLogP28.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.68
LogP ≤ 528.37
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'}

Analyze 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 with MolForge

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Related Compounds

11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 140724696
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
11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 144802961
25,25-dimethyl-20-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]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 140725341
10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
CID 140724174
7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
4-[10-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724450
4-[3-[10-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421355
9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9,10-dinaphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(3-phenanthren-1-ylphenyl)anthracene
CID 163960045
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
11,11-dimethyl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene
CID 163596374
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)cccc2-c2ccc3ccccc3c21.
What is the InChIKey of 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?
The InChIKey is BYECGSPARZPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36.C49H34/c1-53(2)51-38-20-6-3-15-33(38)29-30-47(51)46-28-14-27-39(52(46)53)34-17-13-18-36(31-34)49-42-23-9-11-25-44(42)50(45-26-12-10-24-43(45)49)48-32-35-16-4-5-19-37(35)40-21-7-8-22-41(40)48;1-49(2)47-36-20-6-4-15-32(36)28-29-44(47)43-27-13-25-37(48(43)49)33-17-11-18-34(30-33)45-39-21-7-9-23-41(39)46(42-24-10-8-22-40(42)45)38-26-12-16-31-14-3-5-19-35(31)38/h3-32H,1-2H3;3-30H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1295.68 g/mol, XLogP of 28.37, 6 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-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene is sourced from PubChem (CID 157498925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).