3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline

C50H32N4 — CID 155792693

IUPAC3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7ccc8c9ccccc9ccc8c7n6)c5)cc4)n3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-3-10-33(11-4-1)34-18-22-39(23-19-34)49-52-48(38-13-5-2-6-14-38)53-50(54-49)40-24-20-35(21-25-40)41-15-9-16-42(32-41)46-31-28-37-27-29-44-43-17-8-7-12-36(43)26-30-45(44)47(37)51-46/h1-32H
InChIKeyMGMVQMMCWDUFOS-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.73
Rot. Bonds6

About 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline

3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline (PubChem CID 155792693) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline.

Molecular Properties

Compound Name3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
PubChem CID155792693
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7ccc8c9ccccc9ccc8c7n6)c5)cc4)n3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-3-10-33(11-4-1)34-18-22-39(23-19-34)49-52-48(38-13-5-2-6-14-38)53-50(54-49)40-24-20-35(21-25-40)41-15-9-16-42(32-41)46-31-28-37-27-29-44-43-17-8-7-12-36(43)26-30-45(44)47(37)51-46/h1-32H
InChIKeyMGMVQMMCWDUFOS-UHFFFAOYSA-N
XLogP12.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792574
5-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[i]phenanthridine;3-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 157082509
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725307
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline
CID 165009451
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
2-[4-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167087471
2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167087753
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine
CID 148557011

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline?
The IUPAC name of 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline (CID 155792693) is 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline.
What is the SMILES notation for 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline?
The canonical SMILES for 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7ccc8c9ccccc9ccc8c7n6)c5)cc4)n3)cc2)cc1.
What is the InChIKey of 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline?
The InChIKey is MGMVQMMCWDUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-10-33(11-4-1)34-18-22-39(23-19-34)49-52-48(38-13-5-2-6-14-38)53-50(54-49)40-24-20-35(21-25-40)41-15-9-16-42(32-41)46-31-28-37-27-29-44-43-17-8-7-12-36(43)26-30-45(44)47(37)51-46/h1-32H.
What are the key properties of 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline?
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline has a molecular weight of 688.83 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline is sourced from PubChem (CID 155792693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).