6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C90H54N10O — CID 58099557

IUPAC6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3ccncc3c3cc(-c4cccc(-c5cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c6oc7c(-c8ccc9c(c8)c8cnccc8n9-c8ccccc8)cc(-c8cccc(-c9ccc%10c(c9)c9cnccc9n%10-c9ccccc9)c8)nc7c6n5)c4)ccc32)cc1
InChIInChI=1S/C90H54N10O/c1-5-19-63(20-6-1)97-79-31-27-57(45-69(79)73-51-91-39-35-83(73)97)55-15-13-17-61(43-55)77-49-67(59-29-33-81-71(47-59)75-53-93-41-37-85(75)99(81)65-23-9-3-10-24-65)89-87(95-77)88-90(101-89)68(60-30-34-82-72(48-60)76-54-94-42-38-86(76)100(82)66-25-11-4-12-26-66)50-78(96-88)62-18-14-16-56(44-62)58-28-32-80-70(46-58)74-52-92-40-36-84(74)98(80)64-21-7-2-8-22-64/h1-54H
InChIKeyGFBDMPPUPIWLPC-UHFFFAOYSA-N
MW1291.49 g/mol
LogP22.35
Rot. Bonds10

About 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58099557) has the molecular formula C90H54N10O and a molecular weight of 1291.49 g/mol. Its IUPAC name is 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58099557
Molecular FormulaC90H54N10O
Molecular Weight1291.49 g/mol
Exact Mass1290.45
IUPAC Name6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3ccncc3c3cc(-c4cccc(-c5cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c6oc7c(-c8ccc9c(c8)c8cnccc8n9-c8ccccc8)cc(-c8cccc(-c9ccc%10c(c9)c9cnccc9n%10-c9ccccc9)c8)nc7c6n5)c4)ccc32)cc1
InChIInChI=1S/C90H54N10O/c1-5-19-63(20-6-1)97-79-31-27-57(45-69(79)73-51-91-39-35-83(73)97)55-15-13-17-61(43-55)77-49-67(59-29-33-81-71(47-59)75-53-93-41-37-85(75)99(81)65-23-9-3-10-24-65)89-87(95-77)88-90(101-89)68(60-30-34-82-72(48-60)76-54-94-42-38-86(76)100(82)66-25-11-4-12-26-66)50-78(96-88)62-18-14-16-56(44-62)58-28-32-80-70(46-58)74-52-92-40-36-84(74)98(80)64-21-7-2-8-22-64/h1-54H
InChIKeyGFBDMPPUPIWLPC-UHFFFAOYSA-N
XLogP22.35
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.49
LogP ≤ 522.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-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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Frequently Asked Questions

What is the IUPAC name of 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58099557) is 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-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 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-n2c3ccncc3c3cc(-c4cccc(-c5cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c6oc7c(-c8ccc9c(c8)c8cnccc8n9-c8ccccc8)cc(-c8cccc(-c9ccc%10c(c9)c9cnccc9n%10-c9ccccc9)c8)nc7c6n5)c4)ccc32)cc1.
What is the InChIKey of 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is GFBDMPPUPIWLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N10O/c1-5-19-63(20-6-1)97-79-31-27-57(45-69(79)73-51-91-39-35-83(73)97)55-15-13-17-61(43-55)77-49-67(59-29-33-81-71(47-59)75-53-93-41-37-85(75)99(81)65-23-9-3-10-24-65)89-87(95-77)88-90(101-89)68(60-30-34-82-72(48-60)76-54-94-42-38-86(76)100(82)66-25-11-4-12-26-66)50-78(96-88)62-18-14-16-56(44-62)58-28-32-80-70(46-58)74-52-92-40-36-84(74)98(80)64-21-7-2-8-22-64/h1-54H.
What are the key properties of 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-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 1291.49 g/mol, XLogP of 22.35, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-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 58099557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).