6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole

C100H58N4 — CID 137420577

About 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole

6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 137420577) has the molecular formula C100H58N4 and a molecular weight of 1315.59 g/mol. Its IUPAC name is 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
• PubChem CID: 137420577
• Molecular Formula: C100H58N4
• Molecular Weight: 1315.59 g/mol
• Exact Mass: 1314.47
• IUPAC Name: 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9c%10c%11c(cccc%11c%11ccccc9%11)-c9ccccc9-%10)ccc8n(-c8ccccc8)c7c6)cc4n5-c4ccc5c(c4)-c4cc6ccccc6c6cccc-5c46)ccc32)cc1
• InChI: InChI=1S/C100H58N4/c1-3-20-66(21-4-1)101-89-35-15-13-27-73(89)84-51-59(39-47-91(84)101)61-41-49-93-87(54-61)76-45-38-64(57-96(76)103(93)68-43-46-72-78-32-17-31-77-69-24-8-7-19-65(69)55-88(97(77)78)83(72)58-68)63-37-44-75-86-53-60(40-48-92(86)102(95(75)56-63)67-22-5-2-6-23-67)62-42-50-94-85(52-62)74-28-14-16-36-90(74)104(94)100-82-30-12-10-26-71(82)80-34-18-33-79-70-25-9-11-29-81(70)99(100)98(79)80/h1-58H
• InChIKey: WDHDNKORZLSEOA-UHFFFAOYSA-N
• XLogP: 26.98
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1315.59
LogP ≤ 5	26.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The IUPAC name of 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole (CID 137420577) is 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The canonical SMILES for 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9c%10c%11c(cccc%11c%11ccccc9%11)-c9ccccc9-%10)ccc8n(-c8ccccc8)c7c6)cc4n5-c4ccc5c(c4)-c4cc6ccccc6c6cccc-5c46)ccc32)cc1.

What is the InChIKey of 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The InChIKey is WDHDNKORZLSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H58N4/c1-3-20-66(21-4-1)101-89-35-15-13-27-73(89)84-51-59(39-47-91(84)101)61-41-49-93-87(54-61)76-45-38-64(57-96(76)103(93)68-43-46-72-78-32-17-31-77-69-24-8-7-19-65(69)55-88(97(77)78)83(72)58-68)63-37-44-75-86-53-60(40-48-92(86)102(95(75)56-63)67-22-5-2-6-23-67)62-42-50-94-85(52-62)74-28-14-16-36-90(74)104(94)100-82-30-12-10-26-71(82)80-34-18-33-79-70-25-9-11-29-81(70)99(100)98(79)80/h1-58H.

What are the key properties of 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 1315.59 g/mol, XLogP of 26.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-7-ylcarbazol-3-yl)-2-[9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-yl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 137420577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).