4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene

C42H26 — CID 58672227

IUPAC4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)cc2)cc1
InChIInChI=1S/C42H26/c1-2-10-27(11-3-1)28-20-22-31(23-21-28)40-33-15-4-6-17-35(33)42(36-18-7-5-16-34(36)40)38-26-32-14-8-12-29-24-25-30-13-9-19-37(38)41(30)39(29)32/h1-26H
InChIKeyNREVZEXOAVGVCA-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.89
Rot. Bonds3

About 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene

4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene (PubChem CID 58672227) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene.

Molecular Properties

Compound Name4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
PubChem CID58672227
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)cc2)cc1
InChIInChI=1S/C42H26/c1-2-10-27(11-3-1)28-20-22-31(23-21-28)40-33-15-4-6-17-35(33)42(36-18-7-5-16-34(36)40)38-26-32-14-8-12-29-24-25-30-13-9-19-37(38)41(30)39(29)32/h1-26H
InChIKeyNREVZEXOAVGVCA-UHFFFAOYSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 511.89
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

4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
CID 140784013
9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 158348352
9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 157157236
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
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
4-[4-[10-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)anthracen-9-yl]phenyl]-2,6-diphenylpyrimidine
CID 167412533
4-[4-(10-phenylanthracen-9-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412773
6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 177264953
4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
CID 123502506
4-(10-phenylanthracen-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412900
5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
CID 123600813

Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene?
The IUPAC name of 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene (CID 58672227) is 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene.
What is the SMILES notation for 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene?
The canonical SMILES for 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene?
The InChIKey is NREVZEXOAVGVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-2-10-27(11-3-1)28-20-22-31(23-21-28)40-33-15-4-6-17-35(33)42(36-18-7-5-16-34(36)40)38-26-32-14-8-12-29-24-25-30-13-9-19-37(38)41(30)39(29)32/h1-26H.
What are the key properties of 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene?
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene has a molecular weight of 530.67 g/mol, XLogP of 11.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene is sourced from PubChem (CID 58672227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).