9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene

C145H98N4S — CID 161193058

About 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene

9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene (PubChem CID 161193058) has the molecular formula C145H98N4S and a molecular weight of 1928.47 g/mol. Its IUPAC name is 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene.

Molecular Properties

• Compound Name: 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
• PubChem CID: 161193058
• Molecular Formula: C145H98N4S
• Molecular Weight: 1928.47 g/mol
• Exact Mass: 1926.75
• IUPAC Name: 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c1cc1ccc3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc4ccc2c1c43.CC1(C)c2ccccc2-c2c1cc1ccc3c(-c4ccc5c(c4)sc4ccccc45)ccc4ccc2c1c43.CC1(C)c2ccccc2-c2c1cc1ccc3c(-c4cccc5ccccc45)ccc4ccc2c1c43
• InChI: InChI=1S/C73H50N4.C37H24S.C35H24/c1-73(2)63-46-55(74(49-19-7-3-8-20-49)53-35-41-68-61(44-53)56-27-15-17-29-65(56)76(68)51-23-11-5-12-24-51)34-39-58(63)72-60-38-31-47-33-40-67(59-37-32-48(43-64(72)73)71(60)70(47)59)75(50-21-9-4-10-22-50)54-36-42-69-62(45-54)57-28-16-18-30-66(57)77(69)52-25-13-6-14-26-52;1-37(2)30-9-5-3-8-28(30)36-29-18-12-21-11-15-24(27-17-14-23(19-31(36)37)35(29)34(21)27)22-13-16-26-25-7-4-6-10-32(25)38-33(26)20-22;1-35(2)30-13-6-5-11-28(30)34-29-19-15-22-14-17-26(25-12-7-9-21-8-3-4-10-24(21)25)27-18-16-23(20-31(34)35)33(29)32(22)27/h3-46H,1-2H3;3-20H,1-2H3;3-20H,1-2H3
• InChIKey: UTZCAWBNUMYVPX-UHFFFAOYSA-N
• XLogP: 40.66
• TPSA: 16.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1928.47
LogP ≤ 5	40.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene?

The IUPAC name of 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene (CID 161193058) is 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene.

What is the SMILES notation for 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene?

The canonical SMILES for 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c1cc1ccc3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc4ccc2c1c43.CC1(C)c2ccccc2-c2c1cc1ccc3c(-c4ccc5c(c4)sc4ccccc45)ccc4ccc2c1c43.CC1(C)c2ccccc2-c2c1cc1ccc3c(-c4cccc5ccccc45)ccc4ccc2c1c43.

What is the InChIKey of 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene?

The InChIKey is UTZCAWBNUMYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N4.C37H24S.C35H24/c1-73(2)63-46-55(74(49-19-7-3-8-20-49)53-35-41-68-61(44-53)56-27-15-17-29-65(56)76(68)51-23-11-5-12-24-51)34-39-58(63)72-60-38-31-47-33-40-67(59-37-32-48(43-64(72)73)71(60)70(47)59)75(50-21-9-4-10-22-50)54-36-42-69-62(45-54)57-28-16-18-30-66(57)77(69)52-25-13-6-14-26-52;1-37(2)30-9-5-3-8-28(30)36-29-18-12-21-11-15-24(27-17-14-23(19-31(36)37)35(29)34(21)27)22-13-16-26-25-7-4-6-10-32(25)38-33(26)20-22;1-35(2)30-13-6-5-11-28(30)34-29-19-15-22-14-17-26(25-12-7-9-21-8-3-4-10-24(21)25)27-18-16-23(20-31(34)35)33(29)32(22)27/h3-46H,1-2H3;3-20H,1-2H3;3-20H,1-2H3.

What are the key properties of 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene?

9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene has a molecular weight of 1928.47 g/mol, XLogP of 40.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-6-N,16-N-diphenyl-6-N,16-N-bis(9-phenylcarbazol-3-yl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene-6,16-diamine;3-(9,9-dimethyl-16-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)dibenzothiophene;9,9-dimethyl-16-naphthalen-1-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 161193058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).