9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole

C60H34N2O4S — CID 67953610

About 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole

9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole (PubChem CID 67953610) has the molecular formula C60H34N2O4S and a molecular weight of 879.01 g/mol. Its IUPAC name is 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole.

Molecular Properties

• Compound Name: 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
• PubChem CID: 67953610
• Molecular Formula: C60H34N2O4S
• Molecular Weight: 879.01 g/mol
• Exact Mass: 878.22
• IUPAC Name: 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
• SMILES: C1=CC2c3ccccc3N(c3ccc4oc5cc6oc7ccc(Sc8ccc9oc%10cc%11oc%12ccc(-n%13c%14ccccc%14c%14ccccc%14%13)cc%12c%11cc%10c9c8)cc7c6cc5c4c3)C2C=C1
• InChI: InChI=1S/C60H34N2O4S/c1-5-13-49-37(9-1)38-10-2-6-14-50(38)61(49)33-17-21-53-41(25-33)45-29-47-43-27-35(19-23-55(43)65-59(47)31-57(45)63-53)67-36-20-24-56-44(28-36)48-30-46-42-26-34(18-22-54(42)64-58(46)32-60(48)66-56)62-51-15-7-3-11-39(51)40-12-4-8-16-52(40)62/h1-32,37,49H
• InChIKey: XJRCLDAUAMIIDO-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 60.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.01
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole?

The IUPAC name of 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole (CID 67953610) is 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole.

What is the SMILES notation for 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole?

The canonical SMILES for 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole is C1=CC2c3ccccc3N(c3ccc4oc5cc6oc7ccc(Sc8ccc9oc%10cc%11oc%12ccc(-n%13c%14ccccc%14c%14ccccc%14%13)cc%12c%11cc%10c9c8)cc7c6cc5c4c3)C2C=C1.

What is the InChIKey of 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole?

The InChIKey is XJRCLDAUAMIIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2O4S/c1-5-13-49-37(9-1)38-10-2-6-14-50(38)61(49)33-17-21-53-41(25-33)45-29-47-43-27-35(19-23-55(43)65-59(47)31-57(45)63-53)67-36-20-24-56-44(28-36)48-30-46-42-26-34(18-22-54(42)64-58(46)32-60(48)66-56)62-51-15-7-3-11-39(51)40-12-4-8-16-52(40)62/h1-32,37,49H.

What are the key properties of 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole?

9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole has a molecular weight of 879.01 g/mol, XLogP of 17.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole is sourced from PubChem (CID 67953610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).