N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine

C55H35N3O2S — CID 170776634

IUPACN-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(C3Nc4c(cc5c(oc6ccccc65)c4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)O3)cc2)cc1
InChIInChI=1S/C55H35N3O2S/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)55-56-52-48(60-55)33-43-40-19-8-11-23-47(40)59-54(43)53(52)58(46-22-13-25-50-51(46)41-20-9-12-24-49(41)61-50)38-30-31-45-42(32-38)39-18-7-10-21-44(39)57(45)37-16-5-2-6-17-37/h1-33,55-56H
InChIKeyLLETYMGKZULGKE-UHFFFAOYSA-N
MW801.97 g/mol
LogP15.69
Rot. Bonds6

About N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine

N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine (PubChem CID 170776634) has the molecular formula C55H35N3O2S and a molecular weight of 801.97 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
PubChem CID170776634
Molecular FormulaC55H35N3O2S
Molecular Weight801.97 g/mol
Exact Mass801.24
IUPAC NameN-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(C3Nc4c(cc5c(oc6ccccc65)c4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)O3)cc2)cc1
InChIInChI=1S/C55H35N3O2S/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)55-56-52-48(60-55)33-43-40-19-8-11-23-47(40)59-54(43)53(52)58(46-22-13-25-50-51(46)41-20-9-12-24-49(41)61-50)38-30-31-45-42(32-38)39-18-7-10-21-44(39)57(45)37-16-5-2-6-17-37/h1-33,55-56H
InChIKeyLLETYMGKZULGKE-UHFFFAOYSA-N
XLogP15.69
TPSA42.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.97
LogP ≤ 515.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167129620
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 162144524
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzofuran-5-yl-9-phenylcarbazol-3-amine
CID 170034293
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167125022
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666332
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine (CID 170776634) is N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine is c1ccc(-c2ccc(C3Nc4c(cc5c(oc6ccccc65)c4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)O3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The InChIKey is LLETYMGKZULGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2S/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)55-56-52-48(60-55)33-43-40-19-8-11-23-47(40)59-54(43)53(52)58(46-22-13-25-50-51(46)41-20-9-12-24-49(41)61-50)38-30-31-45-42(32-38)39-18-7-10-21-44(39)57(45)37-16-5-2-6-17-37/h1-33,55-56H.
What are the key properties of N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine has a molecular weight of 801.97 g/mol, XLogP of 15.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine is sourced from PubChem (CID 170776634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).