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

C98H68 — CID 163751276

IUPAC11,11-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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2-c2ccc3ccccc3c21
InChIInChI=1S/2C49H34/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;1-49(2)45-29-27-35(30-44(45)43-28-26-32-13-4-6-16-38(32)48(43)49)47-41-19-9-7-17-39(41)46(40-18-8-10-20-42(40)47)34-24-22-33(23-25-34)37-21-11-14-31-12-3-5-15-36(31)37/h2*3-30H,1-2H3
InChIKeyLQEDGWRHHCAQEH-UHFFFAOYSA-N
MW1245.62 g/mol
LogP27.21
Rot. Bonds6

About 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

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 (PubChem CID 163751276) has the molecular formula C98H68 and a molecular weight of 1245.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11,11-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
PubChem CID163751276
Molecular FormulaC98H68
Molecular Weight1245.62 g/mol
Exact Mass1244.53
IUPAC Name11,11-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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2-c2ccc3ccccc3c21
InChIInChI=1S/2C49H34/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;1-49(2)45-29-27-35(30-44(45)43-28-26-32-13-4-6-16-38(32)48(43)49)47-41-19-9-7-17-39(41)46(40-18-8-10-20-42(40)47)34-24-22-33(23-25-34)37-21-11-14-31-12-3-5-15-36(31)37/h2*3-30H,1-2H3
InChIKeyLQEDGWRHHCAQEH-UHFFFAOYSA-N
XLogP27.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.62
LogP ≤ 527.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 144583230
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
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-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
23,23-dimethyl-19-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 140934962
11,11-dimethyl-9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene;11,11-dimethyl-2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[b]fluorene;11,11-dimethyl-3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[b]fluorene;7,7-dimethyl-9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[c]fluorene;7,7-dimethyl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[c]fluorene;11,11-dimethyl-8-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[a]fluorene
CID 158512021
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 161493004
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane
CID 163496973
21,21-dimethyl-17-[10-(4-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(20),16,18-decaene
CID 140724624

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2-c2ccc3ccccc3c21.
What is the InChIKey of 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?
The InChIKey is LQEDGWRHHCAQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H34/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;1-49(2)45-29-27-35(30-44(45)43-28-26-32-13-4-6-16-38(32)48(43)49)47-41-19-9-7-17-39(41)46(40-18-8-10-20-42(40)47)34-24-22-33(23-25-34)37-21-11-14-31-12-3-5-15-36(31)37/h2*3-30H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1245.62 g/mol, XLogP of 27.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163751276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).