2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole

C108H64N2 — CID 137458678

About 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole

2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole (PubChem CID 137458678) has the molecular formula C108H64N2 and a molecular weight of 1389.71 g/mol. Its IUPAC name is 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole
• PubChem CID: 137458678
• Molecular Formula: C108H64N2
• Molecular Weight: 1389.71 g/mol
• Exact Mass: 1388.51
• IUPAC Name: 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole
• SMILES: c1ccc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cc8ccccc8c57)-c5cc7ccc(-c8ccc9c%10ccc(-c%11cc(-c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cc(-c%12ccc%13c%14c(cccc%12%14)-c%12cc%14ccccc%14cc%12-%13)c%11)cc%10n(-c%10ccccc%10)c9c8)cc7cc5-6)c4)cccc3c2)cc1
• InChI: InChI=1S/C108H64N2/c1-4-19-65(20-5-1)68-39-43-85-74(51-68)26-17-33-84(85)75-24-16-25-76(53-75)88-48-50-96-99-61-80-52-69(37-38-70(80)59-100(99)101-60-77-23-12-13-31-87(77)107(88)108(96)101)71-40-44-91-92-46-42-73(64-105(92)110(104(91)62-71)83-29-8-3-9-30-83)79-54-78(72-41-45-90-89-32-14-15-36-102(89)109(103(90)63-72)82-27-6-2-7-28-82)55-81(56-79)86-47-49-95-98-58-67-22-11-10-21-66(67)57-97(98)94-35-18-34-93(86)106(94)95/h1-64H
• InChIKey: YJDGPMKUTLOTFL-UHFFFAOYSA-N
• XLogP: 29.76
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1389.71
LogP ≤ 5	29.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole?

The IUPAC name of 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole (CID 137458678) is 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole.

What is the SMILES notation for 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole?

The canonical SMILES for 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole is c1ccc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cc8ccccc8c57)-c5cc7ccc(-c8ccc9c%10ccc(-c%11cc(-c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cc(-c%12ccc%13c%14c(cccc%12%14)-c%12cc%14ccccc%14cc%12-%13)c%11)cc%10n(-c%10ccccc%10)c9c8)cc7cc5-6)c4)cccc3c2)cc1.

What is the InChIKey of 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole?

The InChIKey is YJDGPMKUTLOTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H64N2/c1-4-19-65(20-5-1)68-39-43-85-74(51-68)26-17-33-84(85)75-24-16-25-76(53-75)88-48-50-96-99-61-80-52-69(37-38-70(80)59-100(99)101-60-77-23-12-13-31-87(77)107(88)108(96)101)71-40-44-91-92-46-42-73(64-105(92)110(104(91)62-71)83-29-8-3-9-30-83)79-54-78(72-41-45-90-89-32-14-15-36-102(89)109(103(90)63-72)82-27-6-2-7-28-82)55-81(56-79)86-47-49-95-98-58-67-22-11-10-21-66(67)57-97(98)94-35-18-34-93(86)106(94)95/h1-64H.

What are the key properties of 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole?

2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole has a molecular weight of 1389.71 g/mol, XLogP of 29.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-benzo[k]fluoranthen-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenyl-7-[10-[3-(6-phenylnaphthalen-1-yl)phenyl]-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl]carbazole is sourced from PubChem (CID 137458678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).