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

C49H29N3O2S — CID 167129620

IUPACN-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3c(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5sc6ccccc6c45)c4oc5ccccc5c4cc3o2)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-14-30(15-4-1)49-50-46-42(54-49)29-37-35-19-8-11-23-41(35)53-48(37)47(46)52(39-22-13-25-44-45(39)36-20-9-12-24-43(36)55-44)32-26-27-34-33-18-7-10-21-38(33)51(40(34)28-32)31-16-5-2-6-17-31/h1-29H
InChIKeySFGUYHFAKORLFL-UHFFFAOYSA-N
MW723.86 g/mol
LogP14.33
Rot. Bonds5

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

N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine (PubChem CID 167129620) has the molecular formula C49H29N3O2S and a molecular weight of 723.86 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
PubChem CID167129620
Molecular FormulaC49H29N3O2S
Molecular Weight723.86 g/mol
Exact Mass723.20
IUPAC NameN-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3c(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5sc6ccccc6c45)c4oc5ccccc5c4cc3o2)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-14-30(15-4-1)49-50-46-42(54-49)29-37-35-19-8-11-23-41(35)53-48(37)47(46)52(39-22-13-25-44-45(39)36-20-9-12-24-43(36)55-44)32-26-27-34-33-18-7-10-21-38(33)51(40(34)28-32)31-16-5-2-6-17-31/h1-29H
InChIKeySFGUYHFAKORLFL-UHFFFAOYSA-N
XLogP14.33
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.86
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128915
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-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
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
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
CID 170041494
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776846
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128479
N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124376
N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123312
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167125034

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The IUPAC name of N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine (CID 167129620) is N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine is c1ccc(-c2nc3c(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5sc6ccccc6c45)c4oc5ccccc5c4cc3o2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
The InChIKey is SFGUYHFAKORLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2S/c1-3-14-30(15-4-1)49-50-46-42(54-49)29-37-35-19-8-11-23-41(35)53-48(37)47(46)52(39-22-13-25-44-45(39)36-20-9-12-24-43(36)55-44)32-26-27-34-33-18-7-10-21-38(33)51(40(34)28-32)31-16-5-2-6-17-31/h1-29H.
What are the key properties of N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine?
N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine has a molecular weight of 723.86 g/mol, XLogP of 14.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine is sourced from PubChem (CID 167129620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).