6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole

C120H70N4 — CID 137420634

About 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole

6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 137420634) has the molecular formula C120H70N4 and a molecular weight of 1567.91 g/mol. Its IUPAC name is 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
• PubChem CID: 137420634
• Molecular Formula: C120H70N4
• Molecular Weight: 1567.91 g/mol
• Exact Mass: 1566.56
• IUPAC Name: 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10ccc%11c(c%10)-c%10cc%12ccccc%12c%12cccc-%11c%10%12)c%10ccccc9%10)ccc8n(-c8ccccc8)c7c6)cc4n5-c4ccc5cc(-c6ccc7c(c6)-c6cc8ccccc8c8cccc-7c68)ccc5c4)ccc32)cc1
• InChI: InChI=1S/C120H70N4/c1-3-21-84(22-4-1)121-110-35-15-13-29-94(110)104-62-75(44-54-113(104)121)77-46-56-115-107(65-77)97-52-42-80(70-118(97)123(115)86-48-39-72-59-71(37-38-73(72)60-86)74-40-49-91-100-33-17-31-98-87-25-9-7-19-81(87)67-108(119(98)100)102(91)61-74)79-41-51-96-106-64-76(45-55-114(106)122(117(96)69-79)85-23-5-2-6-24-85)78-47-57-116-105(63-78)95-30-14-16-36-111(95)124(116)112-58-53-89(90-27-11-12-28-93(90)112)83-43-50-92-101-34-18-32-99-88-26-10-8-20-82(88)68-109(120(99)101)103(92)66-83/h1-70H
• InChIKey: VYVJZVKEYMKQMZ-UHFFFAOYSA-N
• XLogP: 32.62
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1567.91
LogP ≤ 5	32.62
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-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The IUPAC name of 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole (CID 137420634) is 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The canonical SMILES for 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc(-c6ccc7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10ccc%11c(c%10)-c%10cc%12ccccc%12c%12cccc-%11c%10%12)c%10ccccc9%10)ccc8n(-c8ccccc8)c7c6)cc4n5-c4ccc5cc(-c6ccc7c(c6)-c6cc8ccccc8c8cccc-7c68)ccc5c4)ccc32)cc1.

What is the InChIKey of 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

The InChIKey is VYVJZVKEYMKQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H70N4/c1-3-21-84(22-4-1)121-110-35-15-13-29-94(110)104-62-75(44-54-113(104)121)77-46-56-115-107(65-77)97-52-42-80(70-118(97)123(115)86-48-39-72-59-71(37-38-73(72)60-86)74-40-49-91-100-33-17-31-98-87-25-9-7-19-81(87)67-108(119(98)100)102(91)61-74)79-41-51-96-106-64-76(45-55-114(106)122(117(96)69-79)85-23-5-2-6-24-85)78-47-57-116-105(63-78)95-30-14-16-36-111(95)124(116)112-58-53-89(90-27-11-12-28-93(90)112)83-43-50-92-101-34-18-32-99-88-26-10-8-20-82(88)68-109(120(99)101)103(92)66-83/h1-70H.

What are the key properties of 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole?

6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 1567.91 g/mol, XLogP of 32.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-(4-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-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(6-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-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 137420634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).