14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole

C98H68N4 — CID 159742124

About 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole

14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole (PubChem CID 159742124) has the molecular formula C98H68N4 and a molecular weight of 1301.65 g/mol. Its IUPAC name is 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole.

Molecular Properties

• Compound Name: 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole
• PubChem CID: 159742124
• Molecular Formula: C98H68N4
• Molecular Weight: 1301.65 g/mol
• Exact Mass: 1300.54
• IUPAC Name: 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2n1-c1ccc2ccccc2c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1n3-c1ccc2ccccc2c1
• InChI: InChI=1S/2C49H34N2/c1-49(2)41-18-10-8-17-38(41)47-42(49)24-27-46-48(47)40-30-34(22-26-45(40)51(46)36-23-20-31-12-6-7-13-32(31)28-36)33-21-25-44-39(29-33)37-16-9-11-19-43(37)50(44)35-14-4-3-5-15-35;1-49(2)43-18-10-8-16-37(43)39-30-48-42(29-44(39)49)41-28-34(22-25-47(41)51(48)36-23-20-31-12-6-7-13-32(31)26-36)33-21-24-46-40(27-33)38-17-9-11-19-45(38)50(46)35-14-4-3-5-15-35/h2*3-30H,1-2H3
• InChIKey: NCOZLTNIHBKSDU-UHFFFAOYSA-N
• XLogP: 26.01
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1301.65
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole?

The IUPAC name of 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole (CID 159742124) is 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole.

What is the SMILES notation for 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole?

The canonical SMILES for 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2n1-c1ccc2ccccc2c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1n3-c1ccc2ccccc2c1.

What is the InChIKey of 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole?

The InChIKey is NCOZLTNIHBKSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H34N2/c1-49(2)41-18-10-8-17-38(41)47-42(49)24-27-46-48(47)40-30-34(22-26-45(40)51(46)36-23-20-31-12-6-7-13-32(31)28-36)33-21-25-44-39(29-33)37-16-9-11-19-43(37)50(44)35-14-4-3-5-15-35;1-49(2)43-18-10-8-16-37(43)39-30-48-42(29-44(39)49)41-28-34(22-25-47(41)51(48)36-23-20-31-12-6-7-13-32(31)26-36)33-21-24-46-40(27-33)38-17-9-11-19-45(38)50(46)35-14-4-3-5-15-35/h2*3-30H,1-2H3.

What are the key properties of 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole?

14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole has a molecular weight of 1301.65 g/mol, XLogP of 26.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole is sourced from PubChem (CID 159742124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).