3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole

C242H154N14 — CID 159923014

About 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole

3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 159923014) has the molecular formula C242H154N14 and a molecular weight of 3257.99 g/mol. Its IUPAC name is 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
• PubChem CID: 159923014
• Molecular Formula: C242H154N14
• Molecular Weight: 3257.99 g/mol
• Exact Mass: 3255.25
• IUPAC Name: 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cncc(-c4ccc5ccc6c7ccccc7ccc6c5c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ncnc(-c4ccc5c6ccccc6c6c7ccccc7c7ccccc7c6c5c4)n3)cc21.c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c7ccccc7c7c8ccccc8c8ccccc8c7c6c5)nc(-c5ccccn5)n4)ccc32)cc1.c1ccc2c(-c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc3)cccc2c1.c1ccc2c(-c3ncc(-c4ccc5c6ccccc6c6c7ccccc7c7ccccc7c6c5c4)cn3)cccc2c1.c1ccc2c(c1)ccc1c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)ccc3ccc21
• InChI: InChI=1S/C52H31N5.C44H29N3.C40H24N2.C38H27N.C35H22N2.C33H21N/c1-2-14-34(15-3-1)57-46-24-11-10-19-39(46)43-30-33(26-28-47(43)57)51-54-50(55-52(56-51)45-23-12-13-29-53-45)32-25-27-38-37-18-6-8-21-41(37)48-40-20-7-4-16-35(40)36-17-5-9-22-42(36)49(48)44(38)31-32;1-44(2)38-18-10-9-14-32(38)33-22-20-27(24-39(33)44)43-46-25-45-42(47-43)26-19-21-31-30-13-5-7-16-35(30)40-34-15-6-3-11-28(34)29-12-4-8-17-36(29)41(40)37(31)23-26;1-2-12-28-25(10-1)11-9-19-36(28)40-41-23-27(24-42-40)26-20-21-32-31-15-5-7-17-34(31)38-33-16-6-3-13-29(33)30-14-4-8-18-35(30)39(38)37(32)22-26;1-38(2)36-10-6-5-9-33(36)34-18-15-27(21-37(34)38)29-19-28(22-39-23-29)26-12-11-25-14-16-31-30-8-4-3-7-24(30)13-17-32(31)35(25)20-26;1-2-8-27-23(7-1)15-19-29-28(27)18-16-24-13-14-25(21-32(24)29)26-17-20-35(36-22-26)37-33-11-5-3-9-30(33)31-10-4-6-12-34(31)37;1-3-9-27-22(6-1)8-5-11-29(27)26-16-19-33(34-21-26)25-13-12-24-15-17-30-28-10-4-2-7-23(28)14-18-31(30)32(24)20-25/h1-31H;3-25H,1-2H3;1-24H;3-23H,1-2H3;1-22H;1-21H
• InChIKey: NYQQBTLGJRLYHU-UHFFFAOYSA-N
• XLogP: 63.65
• TPSA: 164.54 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3257.99
LogP ≤ 5	63.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 159923014) is 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3cncc(-c4ccc5ccc6c7ccccc7ccc6c5c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ncnc(-c4ccc5c6ccccc6c6c7ccccc7c7ccccc7c6c5c4)n3)cc21.c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c7ccccc7c7c8ccccc8c8ccccc8c7c6c5)nc(-c5ccccn5)n4)ccc32)cc1.c1ccc2c(-c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc3)cccc2c1.c1ccc2c(-c3ncc(-c4ccc5c6ccccc6c6c7ccccc7c7ccccc7c6c5c4)cn3)cccc2c1.c1ccc2c(c1)ccc1c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)ccc3ccc21.

What is the InChIKey of 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The InChIKey is NYQQBTLGJRLYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5.C44H29N3.C40H24N2.C38H27N.C35H22N2.C33H21N/c1-2-14-34(15-3-1)57-46-24-11-10-19-39(46)43-30-33(26-28-47(43)57)51-54-50(55-52(56-51)45-23-12-13-29-53-45)32-25-27-38-37-18-6-8-21-41(37)48-40-20-7-4-16-35(40)36-17-5-9-22-42(36)49(48)44(38)31-32;1-44(2)38-18-10-9-14-32(38)33-22-20-27(24-39(33)44)43-46-25-45-42(47-43)26-19-21-31-30-13-5-7-16-35(30)40-34-15-6-3-11-28(34)29-12-4-8-17-36(29)41(40)37(31)23-26;1-2-12-28-25(10-1)11-9-19-36(28)40-41-23-27(24-42-40)26-20-21-32-31-15-5-7-17-34(31)38-33-16-6-3-13-29(33)30-14-4-8-18-35(30)39(38)37(32)22-26;1-38(2)36-10-6-5-9-33(36)34-18-15-27(21-37(34)38)29-19-28(22-39-23-29)26-12-11-25-14-16-31-30-8-4-3-7-24(30)13-17-32(31)35(25)20-26;1-2-8-27-23(7-1)15-19-29-28(27)18-16-24-13-14-25(21-32(24)29)26-17-20-35(36-22-26)37-33-11-5-3-9-30(33)31-10-4-6-12-34(31)37;1-3-9-27-22(6-1)8-5-11-29(27)26-16-19-33(34-21-26)25-13-12-24-15-17-30-28-10-4-2-7-23(28)14-18-31(30)32(24)20-25/h1-31H;3-25H,1-2H3;1-24H;3-23H,1-2H3;1-22H;1-21H.

What are the key properties of 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?

3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 3257.99 g/mol, XLogP of 63.65, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chrysen-3-yl-5-(9,9-dimethylfluoren-2-yl)pyridine;2-chrysen-3-yl-5-naphthalen-1-ylpyridine;9-(5-chrysen-3-yl-2-pyridinyl)carbazole;2-(9,9-dimethylfluoren-2-yl)-4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-1,3,5-triazine;5-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-2-naphthalen-1-ylpyrimidine;3-[4-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 159923014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).