butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene

C51H46 — CID 144802907

IUPACbutane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene
SMILESCCCC.Cc1ccccc1-c1cccc(-c2c3ccccc3c(-c3cccc4c3-c3c(ccc5ccccc35)C4(C)C)c3ccccc23)c1C
InChIInChI=1S/C47H36.C4H10/c1-29-15-5-7-17-32(29)33-23-13-24-34(30(33)2)43-36-19-9-11-21-38(36)44(39-22-12-10-20-37(39)43)40-25-14-26-41-46(40)45-35-18-8-6-16-31(35)27-28-42(45)47(41,3)4;1-3-4-2/h5-28H,1-4H3;3-4H2,1-2H3
InChIKeyAXTLMWXIKPTRBJ-UHFFFAOYSA-N
MW658.93 g/mol
LogP14.88
Rot. Bonds4

About butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene

butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene (PubChem CID 144802907) has the molecular formula C51H46 and a molecular weight of 658.93 g/mol. Its IUPAC name is butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene.

Molecular Properties

Compound Namebutane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene
PubChem CID144802907
Molecular FormulaC51H46
Molecular Weight658.93 g/mol
Exact Mass658.36
IUPAC Namebutane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene
SMILESCCCC.Cc1ccccc1-c1cccc(-c2c3ccccc3c(-c3cccc4c3-c3c(ccc5ccccc35)C4(C)C)c3ccccc23)c1C
InChIInChI=1S/C47H36.C4H10/c1-29-15-5-7-17-32(29)33-23-13-24-34(30(33)2)43-36-19-9-11-21-38(36)44(39-22-12-10-20-37(39)43)40-25-14-26-41-46(40)45-35-18-8-6-16-31(35)27-28-42(45)47(41,3)4;1-3-4-2/h5-28H,1-4H3;3-4H2,1-2H3
InChIKeyAXTLMWXIKPTRBJ-UHFFFAOYSA-N
XLogP14.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.93
LogP ≤ 514.88
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-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140725023
9-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-15-naphthalen-1-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479641
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
9-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,15-trimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479668
12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151571
12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796
5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 161228304
CID 159033851
CID 159033851
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308

Frequently Asked Questions

What is the IUPAC name of butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene?
The IUPAC name of butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene (CID 144802907) is butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene.
What is the SMILES notation for butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene?
The canonical SMILES for butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene is CCCC.Cc1ccccc1-c1cccc(-c2c3ccccc3c(-c3cccc4c3-c3c(ccc5ccccc35)C4(C)C)c3ccccc23)c1C.
What is the InChIKey of butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene?
The InChIKey is AXTLMWXIKPTRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36.C4H10/c1-29-15-5-7-17-32(29)33-23-13-24-34(30(33)2)43-36-19-9-11-21-38(36)44(39-22-12-10-20-37(39)43)40-25-14-26-41-46(40)45-35-18-8-6-16-31(35)27-28-42(45)47(41,3)4;1-3-4-2/h5-28H,1-4H3;3-4H2,1-2H3.
What are the key properties of butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene?
butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene has a molecular weight of 658.93 g/mol, XLogP of 14.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;7,7-dimethyl-11-[10-[2-methyl-3-(2-methylphenyl)phenyl]anthracen-9-yl]benzo[c]fluorene is sourced from PubChem (CID 144802907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).