10-phenyl-7-pyren-1-ylbenzo[a]anthracene

C40H24 — CID 177078596

IUPAC10-phenyl-7-pyren-1-ylbenzo[a]anthracene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5ccccc5c4cc3c2)cc1
InChIInChI=1S/C40H24/c1-2-7-25(8-3-1)30-18-19-33-31(23-30)24-37-32-12-5-4-9-26(32)15-20-36(37)40(33)35-22-17-29-14-13-27-10-6-11-28-16-21-34(35)39(29)38(27)28/h1-24H
InChIKeyMLCYYMUTASQZPA-UHFFFAOYSA-N
MW504.63 g/mol
LogP11.38
Rot. Bonds2

About 10-phenyl-7-pyren-1-ylbenzo[a]anthracene

10-phenyl-7-pyren-1-ylbenzo[a]anthracene (PubChem CID 177078596) has the molecular formula C40H24 and a molecular weight of 504.63 g/mol. Its IUPAC name is 10-phenyl-7-pyren-1-ylbenzo[a]anthracene.

Molecular Properties

Compound Name10-phenyl-7-pyren-1-ylbenzo[a]anthracene
PubChem CID177078596
Molecular FormulaC40H24
Molecular Weight504.63 g/mol
Exact Mass504.19
IUPAC Name10-phenyl-7-pyren-1-ylbenzo[a]anthracene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5ccccc5c4cc3c2)cc1
InChIInChI=1S/C40H24/c1-2-7-25(8-3-1)30-18-19-33-31(23-30)24-37-32-12-5-4-9-26(32)15-20-36(37)40(33)35-22-17-29-14-13-27-10-6-11-28-16-21-34(35)39(29)38(27)28/h1-24H
InChIKeyMLCYYMUTASQZPA-UHFFFAOYSA-N
XLogP11.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-(6-phenylpyren-2-yl)benzo[a]anthracene
CID 177078612
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 165107322
9,10-dinaphthalen-1-yl-2-naphthalen-2-ylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(3-naphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)triphenylene;2,9,10-trinaphthalen-2-ylanthracene
CID 159027158
4-benzo[a]anthracen-7-yl-8-phenyl-2-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940134
7-phenanthren-2-yl-12-pyren-1-ylbenzo[a]anthracene
CID 59575215
2-[2-phenyl-10-(4-pyren-1-ylnaphthalen-1-yl)anthracen-9-yl]pyrimidine
CID 88869011
9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 165031655
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;1-(2-phenanthren-9-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 160675826

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-7-pyren-1-ylbenzo[a]anthracene?
The IUPAC name of 10-phenyl-7-pyren-1-ylbenzo[a]anthracene (CID 177078596) is 10-phenyl-7-pyren-1-ylbenzo[a]anthracene.
What is the SMILES notation for 10-phenyl-7-pyren-1-ylbenzo[a]anthracene?
The canonical SMILES for 10-phenyl-7-pyren-1-ylbenzo[a]anthracene is c1ccc(-c2ccc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5ccccc5c4cc3c2)cc1.
What is the InChIKey of 10-phenyl-7-pyren-1-ylbenzo[a]anthracene?
The InChIKey is MLCYYMUTASQZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24/c1-2-7-25(8-3-1)30-18-19-33-31(23-30)24-37-32-12-5-4-9-26(32)15-20-36(37)40(33)35-22-17-29-14-13-27-10-6-11-28-16-21-34(35)39(29)38(27)28/h1-24H.
What are the key properties of 10-phenyl-7-pyren-1-ylbenzo[a]anthracene?
10-phenyl-7-pyren-1-ylbenzo[a]anthracene has a molecular weight of 504.63 g/mol, XLogP of 11.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-7-pyren-1-ylbenzo[a]anthracene is sourced from PubChem (CID 177078596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).