21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

C57H38 — CID 58175421

IUPAC21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc5c6c(cccc46)-c4c(-c6ccccc6)ccc(-c6ccccc6)c4-5)c4ccccc4c(-c4ccccc4)c3cc21
InChIInChI=1S/C57H38/c1-57(2)50-28-15-14-23-40(50)47-33-48-49(34-51(47)57)52(37-21-10-5-11-22-37)41-24-12-13-25-42(41)53(48)44-31-32-46-54-43(44)26-16-27-45(54)55-38(35-17-6-3-7-18-35)29-30-39(56(46)55)36-19-8-4-9-20-36/h3-34H,1-2H3
InChIKeyDGVFGTMWEINBHG-UHFFFAOYSA-N
MW722.93 g/mol
LogP15.77
Rot. Bonds4

About 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (PubChem CID 58175421) has the molecular formula C57H38 and a molecular weight of 722.93 g/mol. Its IUPAC name is 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

Molecular Properties

Compound Name21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
PubChem CID58175421
Molecular FormulaC57H38
Molecular Weight722.93 g/mol
Exact Mass722.30
IUPAC Name21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc5c6c(cccc46)-c4c(-c6ccccc6)ccc(-c6ccccc6)c4-5)c4ccccc4c(-c4ccccc4)c3cc21
InChIInChI=1S/C57H38/c1-57(2)50-28-15-14-23-40(50)47-33-48-49(34-51(47)57)52(37-21-10-5-11-22-37)41-24-12-13-25-42(41)53(48)44-31-32-46-54-43(44)26-16-27-45(54)55-38(35-17-6-3-7-18-35)29-30-39(56(46)55)36-19-8-4-9-20-36/h3-34H,1-2H3
InChIKeyDGVFGTMWEINBHG-UHFFFAOYSA-N
XLogP15.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.93
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene with MolForge

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Related Compounds

21-fluoranthen-3-yl-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175506
21-fluoranthen-3-yl-10,10-dimethyl-14-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175326
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064
3,17-bis(9,9-dimethylfluoren-2-yl)-10,20-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722815
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
10,10-dimethyl-17-perylen-3-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175515
21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 143893943
10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
CID 158578384
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373

Frequently Asked Questions

What is the IUPAC name of 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The IUPAC name of 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (CID 58175421) is 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.
What is the SMILES notation for 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The canonical SMILES for 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is CC1(C)c2ccccc2-c2cc3c(-c4ccc5c6c(cccc46)-c4c(-c6ccccc6)ccc(-c6ccccc6)c4-5)c4ccccc4c(-c4ccccc4)c3cc21.
What is the InChIKey of 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The InChIKey is DGVFGTMWEINBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38/c1-57(2)50-28-15-14-23-40(50)47-33-48-49(34-51(47)57)52(37-21-10-5-11-22-37)41-24-12-13-25-42(41)53(48)44-31-32-46-54-43(44)26-16-27-45(54)55-38(35-17-6-3-7-18-35)29-30-39(56(46)55)36-19-8-4-9-20-36/h3-34H,1-2H3.
What are the key properties of 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene has a molecular weight of 722.93 g/mol, XLogP of 15.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 21-(7,10-diphenylfluoranthen-3-yl)-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 58175421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).