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

C72H38N16 — CID 139484031

IUPAC4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccncc43)nc1c1nc(-n3c4ccccc4c4cc(-c5cnc6c(c5)c5ccccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9cccnc98)nc7c6n5)ncc43)ncc21
InChIInChI=1S/C72H38N16/c1-2-15-41-40(14-1)52-33-77-69(85-57-23-9-5-18-44(57)48-27-29-73-37-61(48)85)81-63(52)64-53(41)34-78-70(82-64)86-58-24-10-7-20-46(58)50-31-56(75-38-62(50)86)39-30-51-47-21-8-12-26-60(47)88(68(51)76-32-39)72-80-36-55-43-17-4-3-16-42(43)54-35-79-71(83-65(54)66(55)84-72)87-59-25-11-6-19-45(59)49-22-13-28-74-67(49)87/h1-38H
InChIKeyIPIXRFPAALLJBR-UHFFFAOYSA-N
MW1127.21 g/mol
LogP15.40
Rot. Bonds5

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

4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (PubChem CID 139484031) has the molecular formula C72H38N16 and a molecular weight of 1127.21 g/mol. Its IUPAC name is 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.

Molecular Properties

Compound Name4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
PubChem CID139484031
Molecular FormulaC72H38N16
Molecular Weight1127.21 g/mol
Exact Mass1126.35
IUPAC Name4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccncc43)nc1c1nc(-n3c4ccccc4c4cc(-c5cnc6c(c5)c5ccccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9cccnc98)nc7c6n5)ncc43)ncc21
InChIInChI=1S/C72H38N16/c1-2-15-41-40(14-1)52-33-77-69(85-57-23-9-5-18-44(57)48-27-29-73-37-61(48)85)81-63(52)64-53(41)34-78-70(82-64)86-58-24-10-7-20-46(58)50-31-56(75-38-62(50)86)39-30-51-47-21-8-12-26-60(47)88(68(51)76-32-39)72-80-36-55-43-17-4-3-16-42(43)54-35-79-71(83-65(54)66(55)84-72)87-59-25-11-6-19-45(59)49-22-13-28-74-67(49)87/h1-38H
InChIKeyIPIXRFPAALLJBR-UHFFFAOYSA-N
XLogP15.40
TPSA174.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.21
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The IUPAC name of 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (CID 139484031) is 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.
What is the SMILES notation for 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The canonical SMILES for 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is c1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccncc43)nc1c1nc(-n3c4ccccc4c4cc(-c5cnc6c(c5)c5ccccc5n6-c5ncc6c7ccccc7c7cnc(-n8c9ccccc9c9cccnc98)nc7c6n5)ncc43)ncc21.
What is the InChIKey of 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The InChIKey is IPIXRFPAALLJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H38N16/c1-2-15-41-40(14-1)52-33-77-69(85-57-23-9-5-18-44(57)48-27-29-73-37-61(48)85)81-63(52)64-53(41)34-78-70(82-64)86-58-24-10-7-20-46(58)50-31-56(75-38-62(50)86)39-30-51-47-21-8-12-26-60(47)88(68(51)76-32-39)72-80-36-55-43-17-4-3-16-42(43)54-35-79-71(83-65(54)66(55)84-72)87-59-25-11-6-19-45(59)49-22-13-28-74-67(49)87/h1-38H.
What are the key properties of 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene has a molecular weight of 1127.21 g/mol, XLogP of 15.40, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrido[2,3-b]indol-9-yl-17-[3-[9-(17-pyrido[3,4-b]indol-9-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[3,4-b]indol-3-yl]pyrido[2,3-b]indol-9-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is sourced from PubChem (CID 139484031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).