7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene

C52H32 — CID 58988922

IUPAC7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4cccc-3c24)cc1
InChIInChI=1S/C52H32/c1-4-17-33(18-5-1)46-36-23-10-14-27-40(36)49(41-28-15-11-24-37(41)46)43-31-32-45-50-42(43)29-16-30-44(50)51-47(34-19-6-2-7-20-34)38-25-12-13-26-39(38)48(52(45)51)35-21-8-3-9-22-35/h1-32H
InChIKeyZHEHLANRIHZTGL-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.61
Rot. Bonds4

About 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene

7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene (PubChem CID 58988922) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene.

Molecular Properties

Compound Name7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
PubChem CID58988922
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4cccc-3c24)cc1
InChIInChI=1S/C52H32/c1-4-17-33(18-5-1)46-36-23-10-14-27-40(36)49(41-28-15-11-24-37(41)46)43-31-32-45-50-42(43)29-16-30-44(50)51-47(34-19-6-2-7-20-34)38-25-12-13-26-39(38)48(52(45)51)35-21-8-3-9-22-35/h1-32H
InChIKeyZHEHLANRIHZTGL-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.61
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

12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 161027167
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988793
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
ethane;12-(4-methylphenyl)-4-[12-(4-methylphenyl)-7-(2-phenylphenyl)benzo[k]fluoranthen-4-yl]-7-(2-phenylphenyl)benzo[k]fluoranthene;propane
CID 143743322
7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)-2,1,3-benzothiadiazole
CID 58988854
21,28-diphenyldecacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31,35-octadecaene
CID 20769969
3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
CID 161477289
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726

Frequently Asked Questions

What is the IUPAC name of 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene?
The IUPAC name of 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene (CID 58988922) is 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene.
What is the SMILES notation for 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene?
The canonical SMILES for 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4cccc-3c24)cc1.
What is the InChIKey of 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene?
The InChIKey is ZHEHLANRIHZTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-4-17-33(18-5-1)46-36-23-10-14-27-40(36)49(41-28-15-11-24-37(41)46)43-31-32-45-50-42(43)29-16-30-44(50)51-47(34-19-6-2-7-20-34)38-25-12-13-26-39(38)48(52(45)51)35-21-8-3-9-22-35/h1-32H.
What are the key properties of 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene?
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene has a molecular weight of 656.83 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene is sourced from PubChem (CID 58988922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).