7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene

C44H38 — CID 123260279

IUPAC7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCc1c(C)c(C)c(-c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)c(C)c1C
InChIInChI=1S/C44H38/c1-25-26(2)28(4)40(29(5)27(25)3)43-34-20-12-10-18-32(34)41(33-19-11-13-21-35(33)43)37-24-39-42(31-17-9-8-16-30(31)37)36-22-14-15-23-38(36)44(39,6)7/h8-24H,1-7H3
InChIKeyBVQICCVIZSNGIP-UHFFFAOYSA-N
MW566.79 g/mol
LogP12.33
Rot. Bonds2

About 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene

7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene (PubChem CID 123260279) has the molecular formula C44H38 and a molecular weight of 566.79 g/mol. Its IUPAC name is 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
PubChem CID123260279
Molecular FormulaC44H38
Molecular Weight566.79 g/mol
Exact Mass566.30
IUPAC Name7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCc1c(C)c(C)c(-c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)c(C)c1C
InChIInChI=1S/C44H38/c1-25-26(2)28(4)40(29(5)27(25)3)43-34-20-12-10-18-32(34)41(33-19-11-13-21-35(33)43)37-24-39-42(31-17-9-8-16-30(31)37)36-22-14-15-23-38(36)44(39,6)7/h8-24H,1-7H3
InChIKeyBVQICCVIZSNGIP-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.79
LogP ≤ 512.33
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-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
5-iodo-7,7-dimethylbenzo[c]fluorene
CID 144938890
11-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 88549554
[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
CID 88549557
9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134487924
17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725787
12-(10-fluoranthen-3-ylanthracen-9-yl)-9,9,17,17-tetramethylhexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 90923293
9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole
CID 121287743

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene (CID 123260279) is 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene is Cc1c(C)c(C)c(-c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)c(C)c1C.
What is the InChIKey of 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene?
The InChIKey is BVQICCVIZSNGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38/c1-25-26(2)28(4)40(29(5)27(25)3)43-34-20-12-10-18-32(34)41(33-19-11-13-21-35(33)43)37-24-39-42(31-17-9-8-16-30(31)37)36-22-14-15-23-38(36)44(39,6)7/h8-24H,1-7H3.
What are the key properties of 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene?
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene has a molecular weight of 566.79 g/mol, XLogP of 12.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene is sourced from PubChem (CID 123260279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).