6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene

C58H36 — CID 58535115

IUPAC6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2c(-c4cccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c45)ccc4cccc-3c24)cc1
InChIInChI=1S/C58H36/c1-5-19-37(20-6-1)50-42-28-13-14-29-43(42)51(38-21-7-2-8-22-38)55-46(32-18-34-48(50)55)47-36-35-41-27-17-33-49-54(41)56(47)58-53(40-25-11-4-12-26-40)45-31-16-15-30-44(45)52(57(49)58)39-23-9-3-10-24-39/h1-36H
InChIKeySOHLLODLWBBNLY-UHFFFAOYSA-N
MW732.93 g/mol
LogP16.28
Rot. Bonds5

About 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene

6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 58535115) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
PubChem CID58535115
Molecular FormulaC58H36
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC Name6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2c(-c4cccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c45)ccc4cccc-3c24)cc1
InChIInChI=1S/C58H36/c1-5-19-37(20-6-1)50-42-28-13-14-29-43(42)51(38-21-7-2-8-22-38)55-46(32-18-34-48(50)55)47-36-35-41-27-17-33-49-54(41)56(47)58-53(40-25-11-4-12-26-40)45-31-16-15-30-44(45)52(57(49)58)39-23-9-3-10-24-39/h1-36H
InChIKeySOHLLODLWBBNLY-UHFFFAOYSA-N
XLogP16.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 516.28
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

7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
3-(1-methylfluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58390229
7,14,25,37-tetraphenyltridecacyclo[21.18.2.22,5.127,31.03,19.04,16.06,15.08,13.020,42.024,38.026,36.039,43.035,44]hexatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26(36),27,29,31(44),32,34,37,39(43),40,45-tricosaene
CID 153474269
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816

Frequently Asked Questions

What is the IUPAC name of 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene (CID 58535115) is 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2c(-c4cccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c45)ccc4cccc-3c24)cc1.
What is the InChIKey of 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is SOHLLODLWBBNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-5-19-37(20-6-1)50-42-28-13-14-29-43(42)51(38-21-7-2-8-22-38)55-46(32-18-34-48(50)55)47-36-35-41-27-17-33-49-54(41)56(47)58-53(40-25-11-4-12-26-40)45-31-16-15-30-44(45)52(57(49)58)39-23-9-3-10-24-39/h1-36H.
What are the key properties of 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene?
6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 732.93 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58535115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).