2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine

C114H73N3 — CID 158873938

IUPAC2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine
SMILESc1ccc(-c2cccc3c2Cc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc2-3)nc1.c1ccc2c(c1)Cc1c(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccn3)cccc1-2.c1ccc2c(c1)Cc1ccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccn3)cc1-2
InChIInChI=1S/C42H27N.2C36H23N/c1-2-14-33-31(12-1)32-13-3-4-15-34(32)39-25-28(21-22-37(33)39)27-10-7-11-29(24-27)30-16-8-17-35-36-18-9-19-38(41(36)26-40(30)35)42-20-5-6-23-43-42;1-2-9-26-25(8-1)21-35-27(26)14-7-15-33(35)36-22-24(18-19-37-36)23-16-17-32-30-12-4-3-10-28(30)29-11-5-6-13-31(29)34(32)20-23;1-2-8-28-25(7-1)19-26-13-14-27(21-34(26)28)36-22-24(17-18-37-36)23-15-16-33-31-11-4-3-9-29(31)30-10-5-6-12-32(30)35(33)20-23/h1-25H,26H2;1-20,22H,21H2;1-18,20-22H,19H2
InChIKeyJCESBJWTWNBPJF-UHFFFAOYSA-N
MW1484.86 g/mol
LogP30.01
Rot. Bonds7

About 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine

2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine (PubChem CID 158873938) has the molecular formula C114H73N3 and a molecular weight of 1484.86 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine
PubChem CID158873938
Molecular FormulaC114H73N3
Molecular Weight1484.86 g/mol
Exact Mass1483.58
IUPAC Name2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine
SMILESc1ccc(-c2cccc3c2Cc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc2-3)nc1.c1ccc2c(c1)Cc1c(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccn3)cccc1-2.c1ccc2c(c1)Cc1ccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccn3)cc1-2
InChIInChI=1S/C42H27N.2C36H23N/c1-2-14-33-31(12-1)32-13-3-4-15-34(32)39-25-28(21-22-37(33)39)27-10-7-11-29(24-27)30-16-8-17-35-36-18-9-19-38(41(36)26-40(30)35)42-20-5-6-23-43-42;1-2-9-26-25(8-1)21-35-27(26)14-7-15-33(35)36-22-24(18-19-37-36)23-16-17-32-30-12-4-3-10-28(30)29-11-5-6-13-31(29)34(32)20-23;1-2-8-28-25(7-1)19-26-13-14-27(21-34(26)28)36-22-24(17-18-37-36)23-15-16-33-31-11-4-3-9-29(31)30-10-5-6-12-32(30)35(33)20-23/h1-25H,26H2;1-20,22H,21H2;1-18,20-22H,19H2
InChIKeyJCESBJWTWNBPJF-UHFFFAOYSA-N
XLogP30.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001484.86
LogP ≤ 530.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine with MolForge

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Related Compounds

3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 134393989
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223
8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
9-triphenylen-2-yl-10H-indeno[1,2-g]quinoline
CID 58489385
9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole
CID 130409444
18-(3-triphenylen-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene
CID 58489376
2-[2-(9H-fluoren-2-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 161248550
2-[4-[10-(9H-fluoren-3-yl)triphenylen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155198239
4-pyridin-4-yl-2-[7-(4-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]pyridine
CID 166504132

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine?
The IUPAC name of 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine (CID 158873938) is 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine?
The canonical SMILES for 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine is c1ccc(-c2cccc3c2Cc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc2-3)nc1.c1ccc2c(c1)Cc1c(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccn3)cccc1-2.c1ccc2c(c1)Cc1ccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccn3)cc1-2.
What is the InChIKey of 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine?
The InChIKey is JCESBJWTWNBPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N.2C36H23N/c1-2-14-33-31(12-1)32-13-3-4-15-34(32)39-25-28(21-22-37(33)39)27-10-7-11-29(24-27)30-16-8-17-35-36-18-9-19-38(41(36)26-40(30)35)42-20-5-6-23-43-42;1-2-9-26-25(8-1)21-35-27(26)14-7-15-33(35)36-22-24(18-19-37-36)23-16-17-32-30-12-4-3-10-28(30)29-11-5-6-13-31(29)34(32)20-23;1-2-8-28-25(7-1)19-26-13-14-27(21-34(26)28)36-22-24(17-18-37-36)23-15-16-33-31-11-4-3-9-29(31)30-10-5-6-12-32(30)35(33)20-23/h1-25H,26H2;1-20,22H,21H2;1-18,20-22H,19H2.
What are the key properties of 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine?
2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine has a molecular weight of 1484.86 g/mol, XLogP of 30.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine is sourced from PubChem (CID 158873938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).