2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole

C172H96N8S8 — CID 158854240

About 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole

2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole (PubChem CID 158854240) has the molecular formula C172H96N8S8 and a molecular weight of 2531.25 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole
• PubChem CID: 158854240
• Molecular Formula: C172H96N8S8
• Molecular Weight: 2531.25 g/mol
• Exact Mass: 2528.55
• IUPAC Name: 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole
• SMILES: N#Cc1cccc(-c2ccc3sc4ccc5c6cc(-c7ccccc7)ccc6sc5c4c3c2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2ccc3sc4ccc5c6cc(-c7ccccc7)ccc6sc5c4c3c2)c(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3sc4ccc5c6cc(-c7ccccc7)ccc6sc5c4c3c2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2sc3ccc4c5cc(-c6ccccc6)ccc5sc4c3c2c1
• InChI: InChI=1S/4C43H24N2S2/c1-44-34-14-9-17-37(45-35-15-7-5-12-29(35)30-13-6-8-16-36(30)45)41(34)28-19-22-39-33(25-28)42-40(46-39)23-20-31-32-24-27(26-10-3-2-4-11-26)18-21-38(32)47-43(31)42;1-44-29-17-19-38(45-36-13-7-5-11-30(36)31-12-6-8-14-37(31)45)33(25-29)28-16-21-40-35(24-28)42-41(46-40)22-18-32-34-23-27(26-9-3-2-4-10-26)15-20-39(34)47-43(32)42;1-44-29-17-18-30(38(25-29)45-36-13-7-5-11-31(36)32-12-6-8-14-37(32)45)28-16-21-40-35(24-28)42-41(46-40)22-19-33-34-23-27(26-9-3-2-4-10-26)15-20-39(34)47-43(33)42;44-25-29-11-8-14-30(42(29)45-36-15-6-4-12-31(36)32-13-5-7-16-37(32)45)28-18-21-39-35(24-28)41-40(46-39)22-19-33-34-23-27(26-9-2-1-3-10-26)17-20-38(34)47-43(33)41/h3*2-25H;1-24H
• InChIKey: IZVMBVGKSJVDNA-UHFFFAOYSA-N
• XLogP: 52.94
• TPSA: 56.59 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.25
LogP ≤ 5	52.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole?

The IUPAC name of 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole (CID 158854240) is 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole.

What is the SMILES notation for 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole?

The canonical SMILES for 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole is N#Cc1cccc(-c2ccc3sc4ccc5c6cc(-c7ccccc7)ccc6sc5c4c3c2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2ccc3sc4ccc5c6cc(-c7ccccc7)ccc6sc5c4c3c2)c(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3sc4ccc5c6cc(-c7ccccc7)ccc6sc5c4c3c2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2sc3ccc4c5cc(-c6ccccc6)ccc5sc4c3c2c1.

What is the InChIKey of 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole?

The InChIKey is IZVMBVGKSJVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C43H24N2S2/c1-44-34-14-9-17-37(45-35-15-7-5-12-29(35)30-13-6-8-16-36(30)45)41(34)28-19-22-39-33(25-28)42-40(46-39)23-20-31-32-24-27(26-10-3-2-4-11-26)18-21-38(32)47-43(31)42;1-44-29-17-19-38(45-36-13-7-5-11-30(36)31-12-6-8-14-37(31)45)33(25-29)28-16-21-40-35(24-28)42-41(46-40)22-18-32-34-23-27(26-9-3-2-4-10-26)15-20-39(34)47-43(32)42;1-44-29-17-18-30(38(25-29)45-36-13-7-5-11-31(36)32-12-6-8-14-37(32)45)28-16-21-40-35(24-28)42-41(46-40)22-19-33-34-23-27(26-9-3-2-4-10-26)15-20-39(34)47-43(33)42;44-25-29-11-8-14-30(42(29)45-36-15-6-4-12-31(36)32-13-5-7-16-37(32)45)28-18-21-39-35(24-28)41-40(46-39)22-19-33-34-23-27(26-9-2-1-3-10-26)17-20-38(34)47-43(33)41/h3*2-25H;1-24H.

What are the key properties of 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole?

2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole has a molecular weight of 2531.25 g/mol, XLogP of 52.94, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-3-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)benzonitrile;9-[3-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[4-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole;9-[5-isocyano-2-(16-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]carbazole is sourced from PubChem (CID 158854240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).