2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole

C33H21N5O — CID 140680894

IUPAC2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
SMILESc1ccc(Oc2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cccnc65)c4)c3n2)nc1
InChIInChI=1S/C33H21N5O/c1-3-14-28-24(11-1)26-13-8-20-35-32(26)37(28)22-9-7-10-23(21-22)38-29-15-4-2-12-25(29)27-17-18-31(36-33(27)38)39-30-16-5-6-19-34-30/h1-21H
InChIKeyDAHSNJUOGAGVCW-UHFFFAOYSA-N
MW503.57 g/mol
LogP7.86
Rot. Bonds4

About 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole

2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole (PubChem CID 140680894) has the molecular formula C33H21N5O and a molecular weight of 503.57 g/mol. Its IUPAC name is 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
PubChem CID140680894
Molecular FormulaC33H21N5O
Molecular Weight503.57 g/mol
Exact Mass503.17
IUPAC Name2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
SMILESc1ccc(Oc2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cccnc65)c4)c3n2)nc1
InChIInChI=1S/C33H21N5O/c1-3-14-28-24(11-1)26-13-8-20-35-32(26)37(28)22-9-7-10-23(21-22)38-29-15-4-2-12-25(29)27-17-18-31(36-33(27)38)39-30-16-5-6-19-34-30/h1-21H
InChIKeyDAHSNJUOGAGVCW-UHFFFAOYSA-N
XLogP7.86
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
9-phenylpyrido[2,3-b]indole
CID 15939260
16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680723
9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 123701995
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827
3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline
CID 140680686
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
14-(3-pyrido[2,3-b]indol-9-ylphenyl)-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
CID 146826614
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol
CID 164823591
9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole (CID 140680894) is 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole is c1ccc(Oc2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cccnc65)c4)c3n2)nc1.
What is the InChIKey of 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole?
The InChIKey is DAHSNJUOGAGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5O/c1-3-14-28-24(11-1)26-13-8-20-35-32(26)37(28)22-9-7-10-23(21-22)38-29-15-4-2-12-25(29)27-17-18-31(36-33(27)38)39-30-16-5-6-19-34-30/h1-21H.
What are the key properties of 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole?
2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole has a molecular weight of 503.57 g/mol, XLogP of 7.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 140680894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).