hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole

C148H94N6 — CID 165037259

About hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole

hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole (PubChem CID 165037259) has the molecular formula C148H94N6 and a molecular weight of 1956.42 g/mol. Its IUPAC name is hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole.

Molecular Properties

• Compound Name: hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
• PubChem CID: 165037259
• Molecular Formula: C148H94N6
• Molecular Weight: 1956.42 g/mol
• Exact Mass: 1954.75
• IUPAC Name: hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
• SMILES: CC#CC#CC#CC#CC#CC#CC#CC.c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c2)cc1
• InChI: InChI=1S/C48H32N2.2C42H28N2.C16H6/c1-3-14-33(15-4-1)35-28-30-37(31-29-35)49-43-24-9-7-20-41(43)47-39(22-12-26-45(47)49)40-23-13-27-46-48(40)42-21-8-10-25-44(42)50(46)38-19-11-18-36(32-38)34-16-5-2-6-17-34;1-3-14-29(15-4-1)30-16-11-19-32(28-30)44-38-25-10-8-21-36(38)42-34(23-13-27-40(42)44)33-22-12-26-39-41(33)35-20-7-9-24-37(35)43(39)31-17-5-2-6-18-31;1-3-13-29(14-4-1)30-25-27-32(28-26-30)44-38-22-10-8-18-36(38)42-34(20-12-24-40(42)44)33-19-11-23-39-41(33)35-17-7-9-21-37(35)43(39)31-15-5-2-6-16-31;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-32H;2*1-28H;1-2H3
• InChIKey: NOPVVCXZUCZMOG-UHFFFAOYSA-N
• XLogP: 36.36
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1956.42
LogP ≤ 5	36.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole?

The IUPAC name of hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole (CID 165037259) is hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole.

What is the SMILES notation for hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole?

The canonical SMILES for hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole is CC#CC#CC#CC#CC#CC#CC#CC.c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c2)cc1.

What is the InChIKey of hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole?

The InChIKey is NOPVVCXZUCZMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2.2C42H28N2.C16H6/c1-3-14-33(15-4-1)35-28-30-37(31-29-35)49-43-24-9-7-20-41(43)47-39(22-12-26-45(47)49)40-23-13-27-46-48(40)42-21-8-10-25-44(42)50(46)38-19-11-18-36(32-38)34-16-5-2-6-17-34;1-3-14-29(15-4-1)30-16-11-19-32(28-30)44-38-25-10-8-21-36(38)42-34(23-13-27-40(42)44)33-22-12-26-39-41(33)35-20-7-9-24-37(35)43(39)31-17-5-2-6-18-31;1-3-13-29(14-4-1)30-25-27-32(28-26-30)44-38-22-10-8-18-36(38)42-34(20-12-24-40(42)44)33-19-11-23-39-41(33)35-17-7-9-21-37(35)43(39)31-15-5-2-6-16-31;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-32H;2*1-28H;1-2H3.

What are the key properties of hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole?

hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole has a molecular weight of 1956.42 g/mol, XLogP of 36.36, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for hexadeca-2,4,6,8,10,12,14-heptayne;4-(9-phenylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole;4-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-4-yl]carbazole is sourced from PubChem (CID 165037259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).