5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C51H48N2 — CID 126598817

About 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 126598817) has the molecular formula C51H48N2 and a molecular weight of 688.96 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 126598817
• Molecular Formula: C51H48N2
• Molecular Weight: 688.96 g/mol
• Exact Mass: 688.38
• IUPAC Name: 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccccc4)C(C)(C)C(C)(C)C6(C)C)cc(c12)C3(C)C
• InChI: InChI=1S/C51H48N2/c1-47(2)36-19-14-18-32-33-27-30(28-39-45(33)53(44(32)36)46-37(47)20-15-21-38(46)48(39,3)4)29-22-24-40-34(26-29)42-41(52(40)31-16-12-11-13-17-31)25-23-35-43(42)50(7,8)51(9,10)49(35,5)6/h11-28H,1-10H3
• InChIKey: QQBLWHTVMMIXMV-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.96
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 126598817) is 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccccc4)C(C)(C)C(C)(C)C6(C)C)cc(c12)C3(C)C.

What is the InChIKey of 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is QQBLWHTVMMIXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48N2/c1-47(2)36-19-14-18-32-33-27-30(28-39-45(33)53(44(32)36)46-37(47)20-15-21-38(46)48(39,3)4)29-22-24-40-34(26-29)42-41(52(40)31-16-12-11-13-17-31)25-23-35-43(42)50(7,8)51(9,10)49(35,5)6/h11-28H,1-10H3.

What are the key properties of 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 688.96 g/mol, XLogP of 13.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,1,2,2,3,3-hexamethyl-6-phenylcyclopenta[c]carbazol-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 126598817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).