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

C56H40 — CID 140724618

IUPAC19-[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
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4c3C(C)(C)c3c-4c4ccccc4c4ccccc34)c3ccccc13)c1ccccc21
InChIInChI=1S/C56H40/c1-55(2)47-31-16-15-28-43(47)51-36-21-8-6-20-35(36)46(32-48(51)55)50-40-25-12-10-23-38(40)49(39-24-11-13-26-41(39)50)44-29-17-30-45-52-37-22-9-5-18-33(37)34-19-7-14-27-42(34)54(52)56(3,4)53(44)45/h5-32H,1-4H3
InChIKeyVXXVSHLEZXHLIQ-UHFFFAOYSA-N
MW712.94 g/mol
LogP15.40
Rot. Bonds2

About 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

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 (PubChem CID 140724618) has the molecular formula C56H40 and a molecular weight of 712.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name19-[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
PubChem CID140724618
Molecular FormulaC56H40
Molecular Weight712.94 g/mol
Exact Mass712.31
IUPAC Name19-[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
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4c3C(C)(C)c3c-4c4ccccc4c4ccccc34)c3ccccc13)c1ccccc21
InChIInChI=1S/C56H40/c1-55(2)47-31-16-15-28-43(47)51-36-21-8-6-20-35(36)46(32-48(51)55)50-40-25-12-10-23-38(40)49(39-24-11-13-26-41(39)50)44-29-17-30-45-52-37-22-9-5-18-33(37)34-19-7-14-27-42(34)54(52)56(3,4)53(44)45/h5-32H,1-4H3
InChIKeyVXXVSHLEZXHLIQ-UHFFFAOYSA-N
XLogP15.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
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
21,21-dimethyl-19-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724611
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
21,21-dimethyl-19-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724877
5-iodo-7,7-dimethylbenzo[c]fluorene
CID 144938890
[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
CID 88549557
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
anthracene;chrysene;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;phenanthrene;picene;pyrene;tetracene
CID 160670506

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4c3C(C)(C)c3c-4c4ccccc4c4ccccc34)c3ccccc13)c1ccccc21.
What is the InChIKey of 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?
The InChIKey is VXXVSHLEZXHLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40/c1-55(2)47-31-16-15-28-43(47)51-36-21-8-6-20-35(36)46(32-48(51)55)50-40-25-12-10-23-38(40)49(39-24-11-13-26-41(39)50)44-29-17-30-45-52-37-22-9-5-18-33(37)34-19-7-14-27-42(34)54(52)56(3,4)53(44)45/h5-32H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 712.94 g/mol, XLogP of 15.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140724618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).