4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C44H26N6O — CID 118517053

IUPAC4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3cc(-c4ccc5oc6ccc(-c7ccc8c9cccnc9n(-c9ccccc9)c8c7)nc6c5n4)ccc3c3ncccc32)cc1
InChIInChI=1S/C44H26N6O/c1-3-9-29(10-4-1)49-36-14-8-23-45-41(36)33-18-16-28(26-38(33)49)35-20-22-40-43(48-35)42-39(51-40)21-19-34(47-42)27-15-17-31-32-13-7-24-46-44(32)50(37(31)25-27)30-11-5-2-6-12-30/h1-26H
InChIKeyOFTUKSULOLVAMY-UHFFFAOYSA-N
MW654.73 g/mol
LogP10.69
Rot. Bonds4

About 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 118517053) has the molecular formula C44H26N6O and a molecular weight of 654.73 g/mol. Its IUPAC name is 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID118517053
Molecular FormulaC44H26N6O
Molecular Weight654.73 g/mol
Exact Mass654.22
IUPAC Name4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3cc(-c4ccc5oc6ccc(-c7ccc8c9cccnc9n(-c9ccccc9)c8c7)nc6c5n4)ccc3c3ncccc32)cc1
InChIInChI=1S/C44H26N6O/c1-3-9-29(10-4-1)49-36-14-8-23-45-41(36)33-18-16-28(26-38(33)49)35-20-22-40-43(48-35)42-39(51-40)21-19-34(47-42)27-15-17-31-32-13-7-24-46-44(32)50(37(31)25-27)30-11-5-2-6-12-30/h1-26H
InChIKeyOFTUKSULOLVAMY-UHFFFAOYSA-N
XLogP10.69
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587723
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265578
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621
3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
CID 118517036
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
9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221618
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577704
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 118517053) is 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-n2c3cc(-c4ccc5oc6ccc(-c7ccc8c9cccnc9n(-c9ccccc9)c8c7)nc6c5n4)ccc3c3ncccc32)cc1.
What is the InChIKey of 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is OFTUKSULOLVAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6O/c1-3-9-29(10-4-1)49-36-14-8-23-45-41(36)33-18-16-28(26-38(33)49)35-20-22-40-43(48-35)42-39(51-40)21-19-34(47-42)27-15-17-31-32-13-7-24-46-44(32)50(37(31)25-27)30-11-5-2-6-12-30/h1-26H.
What are the key properties of 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 654.73 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 118517053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).