7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene

C49H34 — CID 140724252

IUPAC7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C49H34/c1-49(2)44-27-26-35(30-43(44)48-38-19-6-4-14-32(38)25-28-45(48)49)47-41-22-9-7-20-39(41)46(40-21-8-10-23-42(40)47)34-17-11-16-33(29-34)37-24-12-15-31-13-3-5-18-36(31)37/h3-30H,1-2H3
InChIKeyIMGNCUQNARVFSW-UHFFFAOYSA-N
MW622.81 g/mol
LogP13.61
Rot. Bonds3

About 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene

7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene (PubChem CID 140724252) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
PubChem CID140724252
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C49H34/c1-49(2)44-27-26-35(30-43(44)48-38-19-6-4-14-32(38)25-28-45(48)49)47-41-22-9-7-20-39(41)46(40-21-8-10-23-42(40)47)34-17-11-16-33(29-34)37-24-12-15-31-13-3-5-18-36(31)37/h3-30H,1-2H3
InChIKeyIMGNCUQNARVFSW-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

7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
CID 162108873
7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724765
23,23-dimethyl-19-[10-(3-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 140934970
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
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724335
7,7-dimethyl-10-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161066800
7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
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
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779175
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene (CID 140724252) is 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene is CC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene?
The InChIKey is IMGNCUQNARVFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-49(2)44-27-26-35(30-43(44)48-38-19-6-4-14-32(38)25-28-45(48)49)47-41-22-9-7-20-39(41)46(40-21-8-10-23-42(40)47)34-17-11-16-33(29-34)37-24-12-15-31-13-3-5-18-36(31)37/h3-30H,1-2H3.
What are the key properties of 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene?
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]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 7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene is sourced from PubChem (CID 140724252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).