5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine

C85H54N4 — CID 140962691

About 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine

5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine (PubChem CID 140962691) has the molecular formula C85H54N4 and a molecular weight of 1131.39 g/mol. Its IUPAC name is 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine.

Molecular Properties

• Compound Name: 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
• PubChem CID: 140962691
• Molecular Formula: C85H54N4
• Molecular Weight: 1131.39 g/mol
• Exact Mass: 1130.43
• IUPAC Name: 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
• SMILES: c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3c3ccccc23)C42c3ccccc3-c3ccccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C85H54N4/c1-5-23-56(24-6-1)86(62-44-49-80-74(53-62)68-34-17-21-39-78(68)88(80)58-27-9-3-10-28-58)60-42-47-64-55(51-60)41-46-72-82-70-36-14-13-31-65(70)73-52-61(43-48-71(73)84(82)85(83(64)72)76-37-19-15-32-66(76)67-33-16-20-38-77(67)85)87(57-25-7-2-8-26-57)63-45-50-81-75(54-63)69-35-18-22-40-79(69)89(81)59-29-11-4-12-30-59/h1-54H
• InChIKey: KCEVXOGMKUKJKP-UHFFFAOYSA-N
• XLogP: 22.62
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.39
LogP ≤ 5	22.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The IUPAC name of 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine (CID 140962691) is 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine.

What is the SMILES notation for 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The canonical SMILES for 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine is c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3c3ccccc23)C42c3ccccc3-c3ccccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The InChIKey is KCEVXOGMKUKJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H54N4/c1-5-23-56(24-6-1)86(62-44-49-80-74(53-62)68-34-17-21-39-78(68)88(80)58-27-9-3-10-28-58)60-42-47-64-55(51-60)41-46-72-82-70-36-14-13-31-65(70)73-52-61(43-48-71(73)84(82)85(83(64)72)76-37-19-15-32-66(76)67-33-16-20-38-77(67)85)87(57-25-7-2-8-26-57)63-45-50-81-75(54-63)69-35-18-22-40-79(69)89(81)59-29-11-4-12-30-59/h1-54H.

What are the key properties of 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine has a molecular weight of 1131.39 g/mol, XLogP of 22.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine is sourced from PubChem (CID 140962691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).