14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C73H60N8 — CID 158958133

About 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 158958133) has the molecular formula C73H60N8 and a molecular weight of 1049.34 g/mol. Its IUPAC name is 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 158958133
• Molecular Formula: C73H60N8
• Molecular Weight: 1049.34 g/mol
• Exact Mass: 1048.49
• IUPAC Name: 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(N4c5ccccc5C(C)(C)c5cc6c7ccccc7n(-c7ccccn7)c6cc54)cc32)c1.CC1(C)c2ccccc2Nc2cc3c(cc21)c1ccccc1n3-c1ccccn1
• InChI: InChI=1S/C47H39N5.C26H21N3/c1-46(2,3)30-23-25-49-45(26-30)52-38-17-9-6-14-32(38)34-22-21-31(27-41(34)52)50-40-19-11-8-16-36(40)47(4,5)37-28-35-33-15-7-10-18-39(33)51(42(35)29-43(37)50)44-20-12-13-24-48-44;1-26(2)19-10-4-5-11-21(19)28-22-16-24-18(15-20(22)26)17-9-3-6-12-23(17)29(24)25-13-7-8-14-27-25/h6-29H,1-5H3;3-16,28H,1-2H3
• InChIKey: JMGSPTORHCZESF-UHFFFAOYSA-N
• XLogP: 18.64
• TPSA: 68.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.34
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 158958133) is 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(N4c5ccccc5C(C)(C)c5cc6c7ccccc7n(-c7ccccn7)c6cc54)cc32)c1.CC1(C)c2ccccc2Nc2cc3c(cc21)c1ccccc1n3-c1ccccn1.

What is the InChIKey of 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is JMGSPTORHCZESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N5.C26H21N3/c1-46(2,3)30-23-25-49-45(26-30)52-38-17-9-6-14-32(38)34-22-21-31(27-41(34)52)50-40-19-11-8-16-36(40)47(4,5)37-28-35-33-15-7-10-18-39(33)51(42(35)29-43(37)50)44-20-12-13-24-48-44;1-26(2)19-10-4-5-11-21(19)28-22-16-24-18(15-20(22)26)17-9-3-6-12-23(17)29(24)25-13-7-8-14-27-25/h6-29H,1-5H3;3-16,28H,1-2H3.

What are the key properties of 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 1049.34 g/mol, XLogP of 18.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 158958133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).