CID 143920789

C55H33 — CID 143920789

IUPAC—
SMILES[CH]1c2c1c1c(-c3ccc(-c4ccc5ccc6c(-c7ccccc7-c7ccc(-c8ccccc8)cc7)ccc7ccc4c5c76)cc3)cccc1c1ccccc21
InChIInChI=1S/C55H33/c1-2-9-34(10-3-1)35-17-19-36(20-18-35)41-11-4-5-12-44(41)47-30-26-40-27-31-49-42(29-25-39-28-32-50(47)54(40)53(39)49)37-21-23-38(24-22-37)43-15-8-16-48-45-13-6-7-14-46(45)51-33-52(51)55(43)48/h1-33H
InChIKeyQZPQFCJGNDUTTN-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.14
Rot. Bonds5

About CID 143920789

CID 143920789 (PubChem CID 143920789) has the molecular formula C55H33 and a molecular weight of 693.87 g/mol.

Molecular Properties

Compound NameCID 143920789
PubChem CID143920789
Molecular FormulaC55H33
Molecular Weight693.87 g/mol
Exact Mass693.26
IUPAC Name—
SMILES[CH]1c2c1c1c(-c3ccc(-c4ccc5ccc6c(-c7ccccc7-c7ccc(-c8ccccc8)cc7)ccc7ccc4c5c76)cc3)cccc1c1ccccc21
InChIInChI=1S/C55H33/c1-2-9-34(10-3-1)35-17-19-36(20-18-35)41-11-4-5-12-44(41)47-30-26-40-27-31-49-42(29-25-39-28-32-50(47)54(40)53(39)49)37-21-23-38(24-22-37)43-15-8-16-48-45-13-6-7-14-46(45)51-33-52(51)55(43)48/h1-33H
InChIKeyQZPQFCJGNDUTTN-UHFFFAOYSA-N
XLogP15.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.87
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
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1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
3-(2-phenylphenyl)perylene
CID 174610298
1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 123229055
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene;3-(4-phenylphenyl)-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 158357725
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
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
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329

Frequently Asked Questions

What is the IUPAC name of CID 143920789?
The IUPAC name of CID 143920789 (CID 143920789) is not available.
What is the SMILES notation for CID 143920789?
The canonical SMILES for CID 143920789 is [CH]1c2c1c1c(-c3ccc(-c4ccc5ccc6c(-c7ccccc7-c7ccc(-c8ccccc8)cc7)ccc7ccc4c5c76)cc3)cccc1c1ccccc21.
What is the InChIKey of CID 143920789?
The InChIKey is QZPQFCJGNDUTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33/c1-2-9-34(10-3-1)35-17-19-36(20-18-35)41-11-4-5-12-44(41)47-30-26-40-27-31-49-42(29-25-39-28-32-50(47)54(40)53(39)49)37-21-23-38(24-22-37)43-15-8-16-48-45-13-6-7-14-46(45)51-33-52(51)55(43)48/h1-33H.
What are the key properties of CID 143920789?
CID 143920789 has a molecular weight of 693.87 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143920789 is sourced from PubChem (CID 143920789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).