4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene

C67H36N14 — CID 139484251

IUPAC4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
SMILESc1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5cnccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9cnccc98)nc7c6n5)ccc4c4cnc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1
InChIInChI=1S/C67H36N14/c1-2-11-37(12-3-1)63-71-33-53-46-29-38(20-22-42(46)52-36-74-67(78-60(52)59(53)75-63)81-55-19-9-6-15-43(55)45-17-10-26-70-64(45)81)39-21-23-56-47(30-39)49-32-69-28-25-58(49)80(56)66-73-35-51-41-14-5-4-13-40(41)50-34-72-65(76-61(50)62(51)77-66)79-54-18-8-7-16-44(54)48-31-68-27-24-57(48)79/h1-36H
InChIKeyBGCWORFHPXTXBT-UHFFFAOYSA-N
MW1037.12 g/mol
LogP14.58
Rot. Bonds5

About 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene

4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene (PubChem CID 139484251) has the molecular formula C67H36N14 and a molecular weight of 1037.12 g/mol. Its IUPAC name is 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene.

Molecular Properties

Compound Name4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
PubChem CID139484251
Molecular FormulaC67H36N14
Molecular Weight1037.12 g/mol
Exact Mass1036.32
IUPAC Name4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
SMILESc1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5cnccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9cnccc98)nc7c6n5)ccc4c4cnc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1
InChIInChI=1S/C67H36N14/c1-2-11-37(12-3-1)63-71-33-53-46-29-38(20-22-42(46)52-36-74-67(78-60(52)59(53)75-63)81-55-19-9-6-15-43(55)45-17-10-26-70-64(45)81)39-21-23-56-47(30-39)49-32-69-28-25-58(49)80(56)66-73-35-51-41-14-5-4-13-40(41)50-34-72-65(76-61(50)62(51)77-66)79-54-18-8-7-16-44(54)48-31-68-27-24-57(48)79/h1-36H
InChIKeyBGCWORFHPXTXBT-UHFFFAOYSA-N
XLogP14.58
TPSA156.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.12
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene?
The IUPAC name of 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene (CID 139484251) is 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene.
What is the SMILES notation for 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene?
The canonical SMILES for 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene is c1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5cnccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9cnccc98)nc7c6n5)ccc4c4cnc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1.
What is the InChIKey of 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene?
The InChIKey is BGCWORFHPXTXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H36N14/c1-2-11-37(12-3-1)63-71-33-53-46-29-38(20-22-42(46)52-36-74-67(78-60(52)59(53)75-63)81-55-19-9-6-15-43(55)45-17-10-26-70-64(45)81)39-21-23-56-47(30-39)49-32-69-28-25-58(49)80(56)66-73-35-51-41-14-5-4-13-40(41)50-34-72-65(76-61(50)62(51)77-66)79-54-18-8-7-16-44(54)48-31-68-27-24-57(48)79/h1-36H.
What are the key properties of 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene?
4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene has a molecular weight of 1037.12 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-17-pyrido[2,3-b]indol-9-yl-10-[5-(17-pyrido[4,3-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)pyrido[4,3-b]indol-8-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene is sourced from PubChem (CID 139484251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).