10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene

C46H26N6 — CID 168856570

IUPAC10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
SMILESc1ccc2c(c1)c1cnccc1n2-c1ccc2c3c1c1ccccc1n3c1ccc(-n3c4ccccc4c4cnccc43)c3c4ccccc4n2c31
InChIInChI=1S/C46H26N6/c1-5-13-33-27(9-1)31-25-47-23-21-37(31)49(33)39-17-19-41-45-43(39)29-11-3-7-15-35(29)51(45)42-20-18-40(44-30-12-4-8-16-36(30)52(41)46(42)44)50-34-14-6-2-10-28(34)32-26-48-24-22-38(32)50/h1-26H
InChIKeyBAVXTWRBLQMEIH-UHFFFAOYSA-N
MW662.76 g/mol
LogP11.23
Rot. Bonds2

About 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene

10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene (PubChem CID 168856570) has the molecular formula C46H26N6 and a molecular weight of 662.76 g/mol. Its IUPAC name is 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
PubChem CID168856570
Molecular FormulaC46H26N6
Molecular Weight662.76 g/mol
Exact Mass662.22
IUPAC Name10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
SMILESc1ccc2c(c1)c1cnccc1n2-c1ccc2c3c1c1ccccc1n3c1ccc(-n3c4ccccc4c4cnccc43)c3c4ccccc4n2c31
InChIInChI=1S/C46H26N6/c1-5-13-33-27(9-1)31-25-47-23-21-37(31)49(33)39-17-19-41-45-43(39)29-11-3-7-15-35(29)51(45)42-20-18-40(44-30-12-4-8-16-36(30)52(41)46(42)44)50-34-14-6-2-10-28(34)32-26-48-24-22-38(32)50/h1-26H
InChIKeyBAVXTWRBLQMEIH-UHFFFAOYSA-N
XLogP11.23
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.76
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene with MolForge

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Related Compounds

10-pyrido[4,3-b]indol-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517601
10-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517602
9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422791
5-[5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)pyrido[4,3-b]indol-8-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118517604
5,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-(9-phenylcarbazol-3-yl)-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(4-pyrido[4,3-b]indol-5-ylphenyl)indolo[3,2-c]carbazole
CID 161358691
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099675
8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole
CID 144961499
17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 130258843
8-pyrido[4,3-b]indol-5-yl-5-[3-(8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251068

Frequently Asked Questions

What is the IUPAC name of 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene?
The IUPAC name of 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene (CID 168856570) is 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene.
What is the SMILES notation for 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene?
The canonical SMILES for 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene is c1ccc2c(c1)c1cnccc1n2-c1ccc2c3c1c1ccccc1n3c1ccc(-n3c4ccccc4c4cnccc43)c3c4ccccc4n2c31.
What is the InChIKey of 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene?
The InChIKey is BAVXTWRBLQMEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N6/c1-5-13-33-27(9-1)31-25-47-23-21-37(31)49(33)39-17-19-41-45-43(39)29-11-3-7-15-35(29)51(45)42-20-18-40(44-30-12-4-8-16-36(30)52(41)46(42)44)50-34-14-6-2-10-28(34)32-26-48-24-22-38(32)50/h1-26H.
What are the key properties of 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene?
10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene has a molecular weight of 662.76 g/mol, XLogP of 11.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,22-bis(pyrido[4,3-b]indol-5-yl)-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene is sourced from PubChem (CID 168856570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).