N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine

C255H156N6O2S4 — CID 158767830

About N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine

N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 158767830) has the molecular formula C255H156N6O2S4 and a molecular weight of 3464.36 g/mol. Its IUPAC name is N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine
• PubChem CID: 158767830
• Molecular Formula: C255H156N6O2S4
• Molecular Weight: 3464.36 g/mol
• Exact Mass: 3461.12
• IUPAC Name: N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc4c5c(ccc4c3)-c3c(c4ccc(-c6ccc(N(c7ccccc7)c7cccc8c7sc7ccccc78)cc6)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)cc2)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2cccc(-c3ccc4c5c(ccc4c3)-c3c(c4ccc(-c6cccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)c6)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cccc(-c3ccc4c5c(ccc4c3)-c3c(c4ccc(-c6cccc(N(c7ccccc7)c7cccc8c7sc7ccccc78)c6)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C85H52N2O2.2C85H52N2S2/c2*1-3-23-58(24-4-1)86(76-39-19-35-70-66-32-11-15-41-78(66)88-83(70)76)60-27-17-21-53(50-60)55-43-46-62-57(49-55)45-48-72-80-68-34-8-7-29-63(68)73-52-56(44-47-69(73)82(80)85(81(62)72)74-37-13-9-30-64(74)65-31-10-14-38-75(65)85)54-22-18-28-61(51-54)87(59-25-5-2-6-26-59)77-40-20-36-71-67-33-12-16-42-79(67)89-84(71)77;1-3-19-58(20-4-1)86(76-33-17-29-70-66-26-11-15-35-78(66)88-83(70)76)60-44-37-53(38-45-60)55-41-48-62-57(51-55)43-50-72-80-68-28-8-7-23-63(68)73-52-56(42-49-69(73)82(80)85(81(62)72)74-31-13-9-24-64(74)65-25-10-14-32-75(65)85)54-39-46-61(47-40-54)87(59-21-5-2-6-22-59)77-34-18-30-71-67-27-12-16-36-79(67)89-84(71)77/h3*1-52H
• InChIKey: IPMCPNRXTITEEA-UHFFFAOYSA-N
• XLogP: 72.56
• TPSA: 45.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3464.36
LogP ≤ 5	72.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine?

The IUPAC name of N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine (CID 158767830) is N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine.

What is the SMILES notation for N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine?

The canonical SMILES for N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine is c1ccc(N(c2ccc(-c3ccc4c5c(ccc4c3)-c3c(c4ccc(-c6ccc(N(c7ccccc7)c7cccc8c7sc7ccccc78)cc6)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)cc2)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2cccc(-c3ccc4c5c(ccc4c3)-c3c(c4ccc(-c6cccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)c6)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cccc(-c3ccc4c5c(ccc4c3)-c3c(c4ccc(-c6cccc(N(c7ccccc7)c7cccc8c7sc7ccccc78)c6)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1.

What is the InChIKey of N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine?

The InChIKey is IPMCPNRXTITEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N2O2.2C85H52N2S2/c2*1-3-23-58(24-4-1)86(76-39-19-35-70-66-32-11-15-41-78(66)88-83(70)76)60-27-17-21-53(50-60)55-43-46-62-57(49-55)45-48-72-80-68-34-8-7-29-63(68)73-52-56(44-47-69(73)82(80)85(81(62)72)74-37-13-9-30-64(74)65-31-10-14-38-75(65)85)54-22-18-28-61(51-54)87(59-25-5-2-6-26-59)77-40-20-36-71-67-33-12-16-42-79(67)89-84(71)77;1-3-19-58(20-4-1)86(76-33-17-29-70-66-26-11-15-35-78(66)88-83(70)76)60-44-37-53(38-45-60)55-41-48-62-57(51-55)43-50-72-80-68-28-8-7-23-63(68)73-52-56(42-49-69(73)82(80)85(81(62)72)74-31-13-9-24-64(74)65-25-10-14-32-75(65)85)54-39-46-61(47-40-54)87(59-21-5-2-6-22-59)77-34-18-30-71-67-27-12-16-36-79(67)89-84(71)77/h3*1-52H.

What are the key properties of N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine?

N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 3464.36 g/mol, XLogP of 72.56, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]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]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 158767830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).