4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene

C42H26 — CID 140784013

IUPAC4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4cccc5ccc6cccc3c6c54)c3ccccc23)cc1
InChIInChI=1S/C42H26/c1-2-12-27(13-3-1)31-17-4-5-18-32(31)41-33-19-6-8-21-35(33)42(36-22-9-7-20-34(36)41)38-26-30-16-10-14-28-24-25-29-15-11-23-37(38)40(29)39(28)30/h1-26H
InChIKeyADJZPUPSYGFEKA-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.89
Rot. Bonds3

About 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene

4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene (PubChem CID 140784013) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene.

Molecular Properties

Compound Name4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
PubChem CID140784013
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4cccc5ccc6cccc3c6c54)c3ccccc23)cc1
InChIInChI=1S/C42H26/c1-2-12-27(13-3-1)31-17-4-5-18-32(31)41-33-19-6-8-21-35(33)42(36-22-9-7-20-34(36)41)38-26-30-16-10-14-28-24-25-29-15-11-23-37(38)40(29)39(28)30/h1-26H
InChIKeyADJZPUPSYGFEKA-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-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
CID 123502506
7,12-di(pyren-4-yl)benzo[k]fluoranthene
CID 123852618
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
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
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
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
4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline
CID 118261958
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
2-(4-phenylnaphthalen-1-yl)pyrene
CID 140737016
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene?
The IUPAC name of 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene (CID 140784013) is 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene.
What is the SMILES notation for 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene?
The canonical SMILES for 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4cccc5ccc6cccc3c6c54)c3ccccc23)cc1.
What is the InChIKey of 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene?
The InChIKey is ADJZPUPSYGFEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-2-12-27(13-3-1)31-17-4-5-18-32(31)41-33-19-6-8-21-35(33)42(36-22-9-7-20-34(36)41)38-26-30-16-10-14-28-24-25-29-15-11-23-37(38)40(29)39(28)30/h1-26H.
What are the key properties of 4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene?
4-[10-(2-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-(2-phenylphenyl)anthracen-9-yl]pyrene is sourced from PubChem (CID 140784013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).