16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene

C39H26 — CID 123367389

IUPAC16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
SMILESCC1(C)c2ccccc2-c2cc3ccc4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4c3cc21
InChIInChI=1S/C39H26/c1-39(2)36-13-6-5-10-29(36)35-21-25-17-15-23-14-16-24(20-33(23)34(25)22-37(35)39)26-18-19-32-28-9-4-3-8-27(28)31-12-7-11-30(26)38(31)32/h3-22H,1-2H3
InChIKeyLOSZMWDZTVWOQF-UHFFFAOYSA-N
MW494.64 g/mol
LogP10.77
Rot. Bonds1

About 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene

16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene (PubChem CID 123367389) has the molecular formula C39H26 and a molecular weight of 494.64 g/mol. Its IUPAC name is 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene.

Molecular Properties

Compound Name16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
PubChem CID123367389
Molecular FormulaC39H26
Molecular Weight494.64 g/mol
Exact Mass494.20
IUPAC Name16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
SMILESCC1(C)c2ccccc2-c2cc3ccc4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4c3cc21
InChIInChI=1S/C39H26/c1-39(2)36-13-6-5-10-29(36)35-21-25-17-15-23-14-16-24(20-33(23)34(25)22-37(35)39)26-18-19-32-28-9-4-3-8-27(28)31-12-7-11-30(26)38(31)32/h3-22H,1-2H3
InChIKeyLOSZMWDZTVWOQF-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,10-dimethyl-16-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123499931
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175330
12-(7-fluoranthen-3-yl-9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 58569298
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543

Frequently Asked Questions

What is the IUPAC name of 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The IUPAC name of 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene (CID 123367389) is 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene.
What is the SMILES notation for 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The canonical SMILES for 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene is CC1(C)c2ccccc2-c2cc3ccc4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4c3cc21.
What is the InChIKey of 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
The InChIKey is LOSZMWDZTVWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26/c1-39(2)36-13-6-5-10-29(36)35-21-25-17-15-23-14-16-24(20-33(23)34(25)22-37(35)39)26-18-19-32-28-9-4-3-8-27(28)31-12-7-11-30(26)38(31)32/h3-22H,1-2H3.
What are the key properties of 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene?
16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene has a molecular weight of 494.64 g/mol, XLogP of 10.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene is sourced from PubChem (CID 123367389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).