N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline

C183H117N9OS2 — CID 157240089

About N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline

N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline (PubChem CID 157240089) has the molecular formula C183H117N9OS2 and a molecular weight of 2522.14 g/mol. Its IUPAC name is N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline.

Molecular Properties

• Compound Name: N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline
• PubChem CID: 157240089
• Molecular Formula: C183H117N9OS2
• Molecular Weight: 2522.14 g/mol
• Exact Mass: 2519.88
• IUPAC Name: N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5O6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5S6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5S6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1
• InChI: InChI=1S/C61H39N3O.2C61H39N3S/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(42-18-5-2-6-19-42)44-34-36-45(37-35-44)63-54-27-12-8-21-48(54)58-56(63)39-38-52-60(58)65-57-29-14-10-24-50(57)61(52)49-23-9-13-28-55(49)64-53-26-11-7-20-46(53)47-22-15-25-51(61)59(47)64;1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(42-18-5-2-6-19-42)44-34-36-45(37-35-44)63-54-26-11-8-21-47(54)49-38-59-53(39-57(49)63)61(51-24-10-14-29-58(51)65-59)50-23-9-13-28-56(50)64-55-27-12-7-20-46(55)48-22-15-25-52(61)60(48)64;1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(42-18-5-2-6-19-42)44-34-36-45(37-35-44)63-54-27-12-8-21-48(54)58-56(63)39-38-52-60(58)65-57-29-14-10-24-50(57)61(52)49-23-9-13-28-55(49)64-53-26-11-7-20-46(53)47-22-15-25-51(61)59(47)64/h3*1-39H
• InChIKey: AVCKKOFHXAIHEC-UHFFFAOYSA-N
• XLogP: 48.18
• TPSA: 48.53 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2522.14
LogP ≤ 5	48.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline?

The IUPAC name of N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline (CID 157240089) is N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline.

What is the SMILES notation for N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline?

The canonical SMILES for N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5O6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)C4(c5ccccc5S6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5S6)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1.

What is the InChIKey of N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline?

The InChIKey is AVCKKOFHXAIHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O.2C61H39N3S/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(42-18-5-2-6-19-42)44-34-36-45(37-35-44)63-54-27-12-8-21-48(54)58-56(63)39-38-52-60(58)65-57-29-14-10-24-50(57)61(52)49-23-9-13-28-55(49)64-53-26-11-7-20-46(53)47-22-15-25-51(61)59(47)64;1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(42-18-5-2-6-19-42)44-34-36-45(37-35-44)63-54-26-11-8-21-47(54)49-38-59-53(39-57(49)63)61(51-24-10-14-29-58(51)65-59)50-23-9-13-28-56(50)64-55-27-12-7-20-46(55)48-22-15-25-52(61)60(48)64;1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(42-18-5-2-6-19-42)44-34-36-45(37-35-44)63-54-27-12-8-21-48(54)58-56(63)39-38-52-60(58)65-57-29-14-10-24-50(57)61(52)49-23-9-13-28-55(49)64-53-26-11-7-20-46(53)47-22-15-25-51(61)59(47)64/h3*1-39H.

What are the key properties of N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline?

N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline has a molecular weight of 2522.14 g/mol, XLogP of 48.18, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]-5'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)aniline;N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]-5'-ylphenyl)aniline is sourced from PubChem (CID 157240089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).