16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene

C51H31N5O — CID 154646578

IUPAC16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)ccc3n3c4c(nc23)oc2ccccc24)cc1
InChIInChI=1S/C51H31N5O/c1-2-12-34(13-3-1)55-47-31-36(27-29-46(47)56-49-40-17-7-11-21-48(40)57-50(49)52-51(55)56)54-44-20-10-6-16-39(44)41-30-33(24-28-45(41)54)32-22-25-35(26-23-32)53-42-18-8-4-14-37(42)38-15-5-9-19-43(38)53/h1-31H
InChIKeyQGYCRZDUHMDZHS-UHFFFAOYSA-N
MW729.84 g/mol
LogP13.04
Rot. Bonds4

About 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene

16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene (PubChem CID 154646578) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene.

Molecular Properties

Compound Name16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
PubChem CID154646578
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)ccc3n3c4c(nc23)oc2ccccc24)cc1
InChIInChI=1S/C51H31N5O/c1-2-12-34(13-3-1)55-47-31-36(27-29-46(47)56-49-40-17-7-11-21-48(40)57-50(49)52-51(55)56)54-44-20-10-6-16-39(44)41-30-33(24-28-45(41)54)32-22-25-35(26-23-32)53-42-18-8-4-14-37(42)38-15-5-9-19-43(38)53/h1-31H
InChIKeyQGYCRZDUHMDZHS-UHFFFAOYSA-N
XLogP13.04
TPSA45.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaen-16-amine
CID 154646810
16-[9-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]carbazol-3-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646475
13-phenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646637
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 155005967
9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646952
22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene
CID 140939552
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
13-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaene
CID 154646906
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554

Frequently Asked Questions

What is the IUPAC name of 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?
The IUPAC name of 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene (CID 154646578) is 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene.
What is the SMILES notation for 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?
The canonical SMILES for 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene is c1ccc(-n2c3cc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)ccc3n3c4c(nc23)oc2ccccc24)cc1.
What is the InChIKey of 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?
The InChIKey is QGYCRZDUHMDZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-2-12-34(13-3-1)55-47-31-36(27-29-46(47)56-49-40-17-7-11-21-48(40)57-50(49)52-51(55)56)54-44-20-10-6-16-39(44)41-30-33(24-28-45(41)54)32-22-25-35(26-23-32)53-42-18-8-4-14-37(42)38-15-5-9-19-43(38)53/h1-31H.
What are the key properties of 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?
16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene has a molecular weight of 729.84 g/mol, XLogP of 13.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene is sourced from PubChem (CID 154646578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).