10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole

C117H107N3 — CID 163782748

About 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole

10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole (PubChem CID 163782748) has the molecular formula C117H107N3 and a molecular weight of 1555.16 g/mol. Its IUPAC name is 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole.

Molecular Properties

• Compound Name: 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole
• PubChem CID: 163782748
• Molecular Formula: C117H107N3
• Molecular Weight: 1555.16 g/mol
• Exact Mass: 1553.85
• IUPAC Name: 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole
• SMILES: CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2c1ccc1c2C(C)(C)C(C)(C)c2ccccc2-1.CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc3c(c21)C(C)(C)C(C)(C)c1ccccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)C(C)(C)C(C)(C)c1ccccc1-3
• InChI: InChI=1S/2C39H35N.C39H37N/c1-37(2)32-23-24(40-33-17-11-8-14-27(33)28-15-9-12-18-34(28)40)19-20-26(32)29-21-22-30-25-13-7-10-16-31(25)38(3,4)39(5,6)36(30)35(29)37;1-37(2)31-22-21-28-25-13-7-10-16-30(25)38(3,4)39(5,6)36(28)35(31)29-20-19-24(23-32(29)37)40-33-17-11-8-14-26(33)27-15-9-12-18-34(27)40;1-37(2)34-23-28(40(26-15-9-7-10-16-26)27-17-11-8-12-18-27)21-22-30(34)31-24-32-29-19-13-14-20-33(29)38(3,4)39(5,6)36(32)25-35(31)37/h2*7-23H,1-6H3;7-25H,1-6H3
• InChIKey: MPYPZDWLOSFOMC-UHFFFAOYSA-N
• XLogP: 31.35
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1555.16
LogP ≤ 5	31.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole?

The IUPAC name of 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole (CID 163782748) is 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole.

What is the SMILES notation for 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole?

The canonical SMILES for 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2c1ccc1c2C(C)(C)C(C)(C)c2ccccc2-1.CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc3c(c21)C(C)(C)C(C)(C)c1ccccc1-3.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)C(C)(C)C(C)(C)c1ccccc1-3.

What is the InChIKey of 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole?

The InChIKey is MPYPZDWLOSFOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H35N.C39H37N/c1-37(2)32-23-24(40-33-17-11-8-14-27(33)28-15-9-12-18-34(28)40)19-20-26(32)29-21-22-30-25-13-7-10-16-31(25)38(3,4)39(5,6)36(30)35(29)37;1-37(2)31-22-21-28-25-13-7-10-16-30(25)38(3,4)39(5,6)36(28)35(31)29-20-19-24(23-32(29)37)40-33-17-11-8-14-26(33)27-15-9-12-18-34(27)40;1-37(2)34-23-28(40(26-15-9-7-10-16-26)27-17-11-8-12-18-27)21-22-30(34)31-24-32-29-19-13-14-20-33(29)38(3,4)39(5,6)36(32)25-35(31)37/h2*7-23H,1-6H3;7-25H,1-6H3.

What are the key properties of 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole?

10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole has a molecular weight of 1555.16 g/mol, XLogP of 31.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10,14,14,15,15-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-7-amine;9-(11,11,12,12,13,13-hexamethylindeno[2,1-a]phenanthren-9-yl)carbazole;9-(9,9,20,20,21,21-hexamethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaenyl)carbazole is sourced from PubChem (CID 163782748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).