3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene

C62H38 — CID 58988736

IUPAC3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)c4cccc-3c24)cc1
InChIInChI=1S/C62H38/c1-3-17-41(18-4-1)58-52-26-13-14-27-53(52)59(42-19-5-2-6-20-42)62-55-37-36-46(47-28-15-29-54(60(47)55)61(58)62)40-31-33-43(34-32-40)56-48-22-9-11-24-50(48)57(51-25-12-10-23-49(51)56)45-35-30-39-16-7-8-21-44(39)38-45/h1-38H
InChIKeyJDUPDEFPNJDAJR-UHFFFAOYSA-N
MW782.99 g/mol
LogP17.43
Rot. Bonds5

About 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene

3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 58988736) has the molecular formula C62H38 and a molecular weight of 782.99 g/mol. Its IUPAC name is 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
PubChem CID58988736
Molecular FormulaC62H38
Molecular Weight782.99 g/mol
Exact Mass782.30
IUPAC Name3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)c4cccc-3c24)cc1
InChIInChI=1S/C62H38/c1-3-17-41(18-4-1)58-52-26-13-14-27-53(52)59(42-19-5-2-6-20-42)62-55-37-36-46(47-28-15-29-54(60(47)55)61(58)62)40-31-33-43(34-32-40)56-48-22-9-11-24-50(48)57(51-25-12-10-23-49(51)56)45-35-30-39-16-7-8-21-44(39)38-45/h1-38H
InChIKeyJDUPDEFPNJDAJR-UHFFFAOYSA-N
XLogP17.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 517.43
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

3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846
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;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 162198422
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
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
9-naphthalen-2-yl-1-phenyl-10-(4-phenylphenyl)anthracene
CID 58323204
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
3-(7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthene;3-(7,10-diphenylfluoranthen-3-yl)-7,12-diphenylbenzo[k]fluoranthene;3-fluoranthen-3-ylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 158336338

Frequently Asked Questions

What is the IUPAC name of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene (CID 58988736) is 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)c4cccc-3c24)cc1.
What is the InChIKey of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is JDUPDEFPNJDAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38/c1-3-17-41(18-4-1)58-52-26-13-14-27-53(52)59(42-19-5-2-6-20-42)62-55-37-36-46(47-28-15-29-54(60(47)55)61(58)62)40-31-33-43(34-32-40)56-48-22-9-11-24-50(48)57(51-25-12-10-23-49(51)56)45-35-30-39-16-7-8-21-44(39)38-45/h1-38H.
What are the key properties of 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene?
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 782.99 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58988736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).