6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline

C44H28N2 — CID 121287344

IUPAC6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline
SMILESc1cc(-c2ccc3ncccc3c2)cc(-c2ccc3ccc4c(-c5cccc(-c6ccc7ncccc7c6)c5)cccc4c3c2)c1
InChIInChI=1S/C44H28N2/c1-6-30(33-17-20-43-37(26-33)10-4-22-45-43)24-31(7-1)35-15-14-29-16-19-41-39(12-3-13-40(41)42(29)28-35)36-9-2-8-32(25-36)34-18-21-44-38(27-34)11-5-23-46-44/h1-28H
InChIKeyKDUPHBXICKKTCV-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline

6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline (PubChem CID 121287344) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline.

Molecular Properties

Compound Name6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline
PubChem CID121287344
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline
SMILESc1cc(-c2ccc3ncccc3c2)cc(-c2ccc3ccc4c(-c5cccc(-c6ccc7ncccc7c6)c5)cccc4c3c2)c1
InChIInChI=1S/C44H28N2/c1-6-30(33-17-20-43-37(26-33)10-4-22-45-43)24-31(7-1)35-15-14-29-16-19-41-39(12-3-13-40(41)42(29)28-35)36-9-2-8-32(25-36)34-18-21-44-38(27-34)11-5-23-46-44/h1-28H
InChIKeyKDUPHBXICKKTCV-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3,8-bis(3-quinolin-6-ylphenyl)phenanthren-1-yl]-8-[3-[1-(3-quinolin-8-ylphenyl)phenanthren-3-yl]phenyl]quinoline
CID 137458731
6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline
CID 58323733
6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzo[f]quinoline
CID 58323837
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
6-[4-[4-(4-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-tetradecaenyl)phenyl]phenyl]quinoline
CID 167411285
9-(3-phenanthren-9-ylphenyl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302153
8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
10-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-f]quinoline
CID 174287899
ethane;bis(prop-1-ene);6-[6-(3-quinolin-6-ylphenyl)pyren-1-yl]quinoline;3-[3-(6-quinolin-6-ylpyren-1-yl)phenyl]quinoline
CID 144604853
4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319139
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
N-(4-benzo[f]quinolin-6-ylphenyl)-N-(4-benzo[f]quinolin-7-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404939

Frequently Asked Questions

What is the IUPAC name of 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline?
The IUPAC name of 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline (CID 121287344) is 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline.
What is the SMILES notation for 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline?
The canonical SMILES for 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline is c1cc(-c2ccc3ncccc3c2)cc(-c2ccc3ccc4c(-c5cccc(-c6ccc7ncccc7c6)c5)cccc4c3c2)c1.
What is the InChIKey of 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline?
The InChIKey is KDUPHBXICKKTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-6-30(33-17-20-43-37(26-33)10-4-22-45-43)24-31(7-1)35-15-14-29-16-19-41-39(12-3-13-40(41)42(29)28-35)36-9-2-8-32(25-36)34-18-21-44-38(27-34)11-5-23-46-44/h1-28H.
What are the key properties of 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline?
6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline has a molecular weight of 584.72 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline is sourced from PubChem (CID 121287344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).