3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole

C76H49Br2N11 — CID 159658630

IUPAC3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole
SMILESBrc1cncc(Br)c1.c1ccc(-c2ccccc2-c2ccc3[nH]c4cccnc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cncc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)c2)nc1
InChIInChI=1S/C49H31N7.C22H15N3.C5H3Br2N/c1-3-13-38(42-15-5-7-23-51-42)36(11-1)32-19-21-44-40(27-32)48-46(17-9-25-53-48)55(44)34-29-35(31-50-30-34)56-45-22-20-33(28-41(45)49-47(56)18-10-26-54-49)37-12-2-4-14-39(37)43-16-6-8-24-52-43;1-2-7-17(19-8-3-4-12-23-19)16(6-1)15-10-11-20-18(14-15)22-21(25-20)9-5-13-24-22;6-4-1-5(7)3-8-2-4/h1-31H;1-14,25H;1-3H
InChIKeyMSMQPMFBWIZVFP-UHFFFAOYSA-N
MW1276.11 g/mol
LogP19.58
Rot. Bonds8

About 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole

3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole (PubChem CID 159658630) has the molecular formula C76H49Br2N11 and a molecular weight of 1276.11 g/mol. Its IUPAC name is 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole
PubChem CID159658630
Molecular FormulaC76H49Br2N11
Molecular Weight1276.11 g/mol
Exact Mass1273.25
IUPAC Name3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole
SMILESBrc1cncc(Br)c1.c1ccc(-c2ccccc2-c2ccc3[nH]c4cccnc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cncc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)c2)nc1
InChIInChI=1S/C49H31N7.C22H15N3.C5H3Br2N/c1-3-13-38(42-15-5-7-23-51-42)36(11-1)32-19-21-44-40(27-32)48-46(17-9-25-53-48)55(44)34-29-35(31-50-30-34)56-45-22-20-33(28-41(45)49-47(56)18-10-26-54-49)37-12-2-4-14-39(37)43-16-6-8-24-52-43;1-2-7-17(19-8-3-4-12-23-19)16(6-1)15-10-11-20-18(14-15)22-21(25-20)9-5-13-24-22;6-4-1-5(7)3-8-2-4/h1-31H;1-14,25H;1-3H
InChIKeyMSMQPMFBWIZVFP-UHFFFAOYSA-N
XLogP19.58
TPSA128.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.11
LogP ≤ 519.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole with MolForge

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Related Compounds

5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 129259902
2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
CID 144837100
2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole
CID 158172921
5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 67094853
3,6-bis(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-phenyl-3-(3-pyridin-3-ylphenyl)-6-[8-[3-(3-pyridin-3-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-3-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole;7-(3-pyridin-3-ylphenyl)-5-(5H-pyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole;6-(3-pyridin-3-ylphenyl)-9-[3-[3-(1,3,5-triazin-2-yl)pyrido[2,3-b]indol-9-yl]phenyl]pyrido[3,4-b]indole;3-(5-pyridin-3-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 159858277
8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
CID 145030995
8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
CID 118945751
6-(2-pyridin-2-ylphenyl)-9H-pyrido[2,3-b]indole
CID 163984381
8-[5-[5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-3-pyridinyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517417
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole?
The IUPAC name of 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole (CID 159658630) is 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole.
What is the SMILES notation for 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole?
The canonical SMILES for 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole is Brc1cncc(Br)c1.c1ccc(-c2ccccc2-c2ccc3[nH]c4cccnc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cncc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)c2)nc1.
What is the InChIKey of 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole?
The InChIKey is MSMQPMFBWIZVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N7.C22H15N3.C5H3Br2N/c1-3-13-38(42-15-5-7-23-51-42)36(11-1)32-19-21-44-40(27-32)48-46(17-9-25-53-48)55(44)34-29-35(31-50-30-34)56-45-22-20-33(28-41(45)49-47(56)18-10-26-54-49)37-12-2-4-14-39(37)43-16-6-8-24-52-43;1-2-7-17(19-8-3-4-12-23-19)16(6-1)15-10-11-20-18(14-15)22-21(25-20)9-5-13-24-22;6-4-1-5(7)3-8-2-4/h1-31H;1-14,25H;1-3H.
What are the key properties of 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole?
3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole has a molecular weight of 1276.11 g/mol, XLogP of 19.58, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromopyridine;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-3-pyridinyl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[3,2-b]indole is sourced from PubChem (CID 159658630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).