7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene

C53H36 — CID 162108873

IUPAC7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
SMILESCC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C53H36/c1-53(2)48-30-27-35(32-47(48)52-38-18-6-4-15-34(38)26-31-49(52)53)37-28-29-46(40-20-8-7-19-39(37)40)51-44-23-11-9-21-42(44)50(43-22-10-12-24-45(43)51)41-25-13-16-33-14-3-5-17-36(33)41/h3-32H,1-2H3
InChIKeyQMSIYNGDYWMWHK-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.76
Rot. Bonds3

About 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene

7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene (PubChem CID 162108873) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
PubChem CID162108873
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
SMILESCC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C53H36/c1-53(2)48-30-27-35(32-47(48)52-38-18-6-4-15-34(38)26-31-49(52)53)37-28-29-46(40-20-8-7-19-39(37)40)51-44-23-11-9-21-42(44)50(43-22-10-12-24-45(43)51)41-25-13-16-33-14-3-5-17-36(33)41/h3-32H,1-2H3
InChIKeyQMSIYNGDYWMWHK-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.76
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-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
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
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
9,9-dimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130189917
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779175
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168778339
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724335
7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724765
18-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-12,12-dimethyl-16-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190031
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene
CID 158385348

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene (CID 162108873) is 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene is CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene?
The InChIKey is QMSIYNGDYWMWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)48-30-27-35(32-47(48)52-38-18-6-4-15-34(38)26-31-49(52)53)37-28-29-46(40-20-8-7-19-39(37)40)51-44-23-11-9-21-42(44)50(43-22-10-12-24-45(43)51)41-25-13-16-33-14-3-5-17-36(33)41/h3-32H,1-2H3.
What are the key properties of 7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene?
7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene has a molecular weight of 672.87 g/mol, XLogP of 14.76, 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-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene is sourced from PubChem (CID 162108873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).