3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole

C144H107N5 — CID 162019578

IUPAC3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole
SMILESCC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc(c1)c2c34
InChIInChI=1S/C49H36N2.C48H36N2.C47H35N/c1-49(2,3)37-26-34-19-22-40-42(32-17-15-31(16-18-32)36-10-9-25-50-30-36)29-43(41-23-20-35(27-37)47(34)48(40)41)33-21-24-46-44(28-33)39-13-7-8-14-45(39)51(46)38-11-5-4-6-12-38;1-48(2,3)40-28-38-19-21-41-43(35-13-11-32(12-14-35)31-7-9-33(10-8-31)34-23-26-49-27-24-34)30-44(42-22-20-39(29-40)46(38)47(41)42)36-15-17-37(18-16-36)45-6-4-5-25-50-45;1-47(2,3)38-26-35-21-23-41-43(33-15-13-30(14-16-33)37-10-7-25-48-29-37)28-44(42-24-22-36(27-38)45(35)46(41)42)34-19-17-32(18-20-34)40-12-6-9-31-8-4-5-11-39(31)40/h4-30H,1-3H3;4-30H,1-3H3;4-29H,1-3H3
InChIKeyYUONZWOKNXDGJR-UHFFFAOYSA-N
MW1907.47 g/mol
LogP39.48
Rot. Bonds13

About 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole

3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole (PubChem CID 162019578) has the molecular formula C144H107N5 and a molecular weight of 1907.47 g/mol. Its IUPAC name is 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole
PubChem CID162019578
Molecular FormulaC144H107N5
Molecular Weight1907.47 g/mol
Exact Mass1905.85
IUPAC Name3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole
SMILESCC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc(c1)c2c34
InChIInChI=1S/C49H36N2.C48H36N2.C47H35N/c1-49(2,3)37-26-34-19-22-40-42(32-17-15-31(16-18-32)36-10-9-25-50-30-36)29-43(41-23-20-35(27-37)47(34)48(40)41)33-21-24-46-44(28-33)39-13-7-8-14-45(39)51(46)38-11-5-4-6-12-38;1-48(2,3)40-28-38-19-21-41-43(35-13-11-32(12-14-35)31-7-9-33(10-8-31)34-23-26-49-27-24-34)30-44(42-22-20-39(29-40)46(38)47(41)42)36-15-17-37(18-16-36)45-6-4-5-25-50-45;1-47(2,3)38-26-35-21-23-41-43(33-15-13-30(14-16-33)37-10-7-25-48-29-37)28-44(42-24-22-36(27-38)45(35)46(41)42)34-19-17-32(18-20-34)40-12-6-9-31-8-4-5-11-39(31)40/h4-30H,1-3H3;4-30H,1-3H3;4-29H,1-3H3
InChIKeyYUONZWOKNXDGJR-UHFFFAOYSA-N
XLogP39.48
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001907.47
LogP ≤ 539.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole with MolForge

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Related Compounds

6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 157442291
2-[4-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028936
2-(7-tert-butylpyren-1-yl)-9-phenyl-7-pyridin-2-ylcarbazole
CID 59736368
9-[3-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole;2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[5-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-2-pyridinyl]quinoline;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-pyridin-4-ylpyridine
CID 160572919
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)-4-(3-pyridin-2-ylphenyl)quinolin-6-yl]carbazole;9-phenyl-3-[2-(9-phenylcarbazol-3-yl)-4-(4-pyridin-4-ylphenyl)quinolin-6-yl]carbazole
CID 158830021
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 157121203
3,5-bis(4-tert-butylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-pyridin-3-ylphenyl)aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 158527673
9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-1H-isoindol-2-ium
CID 159267597
2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]pyridine
CID 58028994
9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole
CID 159637471
2-[2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028851
5-[4-[7-tert-butyl-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]pyren-1-yl]phenyl]-2-pyridin-2-ylpyridine
CID 58028855

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole (CID 162019578) is 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole is CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc(c1)c2c34.
What is the InChIKey of 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole?
The InChIKey is YUONZWOKNXDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2.C48H36N2.C47H35N/c1-49(2,3)37-26-34-19-22-40-42(32-17-15-31(16-18-32)36-10-9-25-50-30-36)29-43(41-23-20-35(27-37)47(34)48(40)41)33-21-24-46-44(28-33)39-13-7-8-14-45(39)51(46)38-11-5-4-6-12-38;1-48(2,3)40-28-38-19-21-41-43(35-13-11-32(12-14-35)31-7-9-33(10-8-31)34-23-26-49-27-24-34)30-44(42-22-20-39(29-40)46(38)47(41)42)36-15-17-37(18-16-36)45-6-4-5-25-50-45;1-47(2,3)38-26-35-21-23-41-43(33-15-13-30(14-16-33)37-10-7-25-48-29-37)28-44(42-24-22-36(27-38)45(35)46(41)42)34-19-17-32(18-20-34)40-12-6-9-31-8-4-5-11-39(31)40/h4-30H,1-3H3;4-30H,1-3H3;4-29H,1-3H3.
What are the key properties of 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole?
3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole has a molecular weight of 1907.47 g/mol, XLogP of 39.48, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 162019578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).