9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole

C53H36N2 — CID 121287762

About 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole

9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole (PubChem CID 121287762) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole
• PubChem CID: 121287762
• Molecular Formula: C53H36N2
• Molecular Weight: 700.89 g/mol
• Exact Mass: 700.29
• IUPAC Name: 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole
• SMILES: CC1(C)c2c(ccc3ccccc23)-c2ccc3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)ccc3c21
• InChI: InChI=1S/C53H36N2/c1-53(2)51-39-14-4-3-13-33(39)23-27-45(51)46-28-25-35-29-34(24-26-40(35)52(46)53)36-30-37(54-47-19-9-5-15-41(47)42-16-6-10-20-48(42)54)32-38(31-36)55-49-21-11-7-17-43(49)44-18-8-12-22-50(44)55/h3-32H,1-2H3
• InChIKey: ODKLAVCYFPFBIC-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.89
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole (CID 121287762) is 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole is CC1(C)c2c(ccc3ccccc23)-c2ccc3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)ccc3c21.

What is the InChIKey of 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole?

The InChIKey is ODKLAVCYFPFBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-53(2)51-39-14-4-3-13-33(39)23-27-45(51)46-28-25-35-29-34(24-26-40(35)52(46)53)36-30-37(54-47-19-9-5-15-41(47)42-16-6-10-20-48(42)54)32-38(31-36)55-49-21-11-7-17-43(49)44-18-8-12-22-50(44)55/h3-32H,1-2H3.

What are the key properties of 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole?

9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole has a molecular weight of 700.89 g/mol, XLogP of 14.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)phenyl]carbazole is sourced from PubChem (CID 121287762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).