N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine

C52H32N2OS — CID 121357380

IUPACN-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C52H32N2OS/c1-2-12-36(13-3-1)54-46-17-6-4-14-40(46)44-31-38(25-28-47(44)54)53(39-26-29-51-45(32-39)42-15-5-7-19-50(42)56-51)37-23-20-33(21-24-37)35-22-27-41-43-16-8-10-34-11-9-18-48(52(34)43)55-49(41)30-35/h1-32H
InChIKeyBZWLOAWWDRBAGT-UHFFFAOYSA-N
MW732.91 g/mol
LogP15.21
Rot. Bonds5

About N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine

N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 121357380) has the molecular formula C52H32N2OS and a molecular weight of 732.91 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID121357380
Molecular FormulaC52H32N2OS
Molecular Weight732.91 g/mol
Exact Mass732.22
IUPAC NameN-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C52H32N2OS/c1-2-12-36(13-3-1)54-46-17-6-4-14-40(46)44-31-38(25-28-47(44)54)53(39-26-29-51-45(32-39)42-15-5-7-19-50(42)56-51)37-23-20-33(21-24-37)35-22-27-41-43-16-8-10-34-11-9-18-48(52(34)43)55-49(41)30-35/h1-32H
InChIKeyBZWLOAWWDRBAGT-UHFFFAOYSA-N
XLogP15.21
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine (CID 121357380) is N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)c4ccc5sc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is BZWLOAWWDRBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS/c1-2-12-36(13-3-1)54-46-17-6-4-14-40(46)44-31-38(25-28-47(44)54)53(39-26-29-51-45(32-39)42-15-5-7-19-50(42)56-51)37-23-20-33(21-24-37)35-22-27-41-43-16-8-10-34-11-9-18-48(52(34)43)55-49(41)30-35/h1-32H.
What are the key properties of N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine?
N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 732.91 g/mol, XLogP of 15.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 121357380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).