10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene — IUPAC name, SMILES, InChIKey & properties

Name: 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene

10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene (PubChem CID 144848559) has the molecular formula C66H36N16O3 and a molecular weight of 1101.12 g/mol. Its IUPAC name is 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene.

Molecular Properties

Compound Name	10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
PubChem CID	144848559
Molecular Formula	C66H36N16O3
Molecular Weight	1101.12 g/mol
Exact Mass	1100.32
IUPAC Name	10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
SMILES	c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4cnccc4c4c5cnccc5oc43)n2)cc1.c1ccc(-c2nc(-n3c4cnccc4c4c5ccncc5oc43)nc(-n3c4cnccc4c4c5ccncc5oc43)n2)cc1
InChI	InChI=1S/C33H17N9O2.C33H19N7O/c1-2-4-18(5-3-1)29-38-32(41-23-14-34-10-6-19(23)27-21-8-12-36-16-25(21)43-30(27)41)40-33(39-29)42-24-15-35-11-7-20(24)28-22-9-13-37-17-26(22)44-31(28)42;1-2-8-20(9-3-1)30-36-32(39-25-12-6-4-10-21(25)22-11-5-7-13-26(22)39)38-33(37-30)40-27-19-35-16-14-23(27)29-24-18-34-17-15-28(24)41-31(29)40/h1-17H;1-19H
InChIKey	LCTSQEPTKPFSGZ-UHFFFAOYSA-N
XLogP	14.07
TPSA	213.82 Å²
H-Bond Donors
H-Bond Acceptors	19
Rotatable Bonds	6
Heavy Atoms	85
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.12
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Analyze 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?

The IUPAC name of 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene (CID 144848559) is 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene.

What is the SMILES notation for 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?

The canonical SMILES for 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4cnccc4c4c5cnccc5oc43)n2)cc1.c1ccc(-c2nc(-n3c4cnccc4c4c5ccncc5oc43)nc(-n3c4cnccc4c4c5ccncc5oc43)n2)cc1.

What is the InChIKey of 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?

The InChIKey is LCTSQEPTKPFSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17N9O2.C33H19N7O/c1-2-4-18(5-3-1)29-38-32(41-23-14-34-10-6-19(23)27-21-8-12-36-16-25(21)43-30(27)41)40-33(39-29)42-24-15-35-11-7-20(24)28-22-9-13-37-17-26(22)44-31(28)42;1-2-8-20(9-3-1)30-36-32(39-25-12-6-4-10-21(25)22-11-5-7-13-26(22)39)38-33(37-30)40-27-19-35-16-14-23(27)29-24-18-34-17-15-28(24)41-31(29)40/h1-17H;1-19H.

What are the key properties of 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?

Where does this data come from?

All data for 10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-4,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene;10-[4-(8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene is sourced from PubChem (CID 144848559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).