10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C48H28N2OS — CID 164795662

IUPAC10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc2c(c1)Oc1cc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)cc3c4ccccc4n-2c13
InChIInChI=1S/C48H28N2OS/c1-4-15-40-34(10-1)38-26-30(33-13-9-14-37-36-12-3-8-19-46(36)52-48(33)37)22-25-42(38)49(40)32-23-20-29(21-24-32)31-27-39-35-11-2-5-16-41(35)50-43-17-6-7-18-44(43)51-45(28-31)47(39)50/h1-28H
InChIKeyKFTJIIUWQBJPLB-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.69
Rot. Bonds3

About 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 164795662) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID164795662
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc2c(c1)Oc1cc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)cc3c4ccccc4n-2c13
InChIInChI=1S/C48H28N2OS/c1-4-15-40-34(10-1)38-26-30(33-13-9-14-37-36-12-3-8-19-46(36)52-48(33)37)22-25-42(38)49(40)32-23-20-29(21-24-32)31-27-39-35-11-2-5-16-41(35)50-43-17-6-7-18-44(43)51-45(28-31)47(39)50/h1-28H
InChIKeyKFTJIIUWQBJPLB-UHFFFAOYSA-N
XLogP13.69
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

10-(3-dibenzothiophen-4-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 126605227
10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795507
10-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795391
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 139319601
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 164795662) is 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc2c(c1)Oc1cc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)cc3c4ccccc4n-2c13.
What is the InChIKey of 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is KFTJIIUWQBJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-4-15-40-34(10-1)38-26-30(33-13-9-14-37-36-12-3-8-19-46(36)52-48(33)37)22-25-42(38)49(40)32-23-20-29(21-24-32)31-27-39-35-11-2-5-16-41(35)50-43-17-6-7-18-44(43)51-45(28-31)47(39)50/h1-28H.
What are the key properties of 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 680.83 g/mol, XLogP of 13.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).