N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

C49H29N3O2S — CID 167123209

IUPACN-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c(c6)sc6ccccc67)c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c43)o2)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-47-42(54-49)27-26-41-46(47)38-25-23-32(28-43(38)53-41)51(33-22-24-36-35-17-8-10-21-44(35)55-45(36)29-33)40-20-11-18-37-34-16-7-9-19-39(34)52(48(37)40)31-14-5-2-6-15-31/h1-29H
InChIKeyQBVQWKZAQSDSCG-UHFFFAOYSA-N
MW723.86 g/mol
LogP14.33
Rot. Bonds5

About N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (PubChem CID 167123209) has the molecular formula C49H29N3O2S and a molecular weight of 723.86 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
PubChem CID167123209
Molecular FormulaC49H29N3O2S
Molecular Weight723.86 g/mol
Exact Mass723.20
IUPAC NameN-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c(c6)sc6ccccc67)c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c43)o2)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-47-42(54-49)27-26-41-46(47)38-25-23-32(28-43(38)53-41)51(33-22-24-36-35-17-8-10-21-44(35)55-45(36)29-33)40-20-11-18-37-34-16-7-9-19-39(34)52(48(37)40)31-14-5-2-6-15-31/h1-29H
InChIKeyQBVQWKZAQSDSCG-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-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123312
N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123316
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
CID 167124903
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289
N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167130025
N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123178
N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167123592
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125219
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167130023
N,N-di(dibenzothiophen-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123968
N-benzo[c]phenanthren-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 167181846

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The IUPAC name of N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (CID 167123209) is N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is c1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c(c6)sc6ccccc67)c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c43)o2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The InChIKey is QBVQWKZAQSDSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-47-42(54-49)27-26-41-46(47)38-25-23-32(28-43(38)53-41)51(33-22-24-36-35-17-8-10-21-44(35)55-45(36)29-33)40-20-11-18-37-34-16-7-9-19-39(34)52(48(37)40)31-14-5-2-6-15-31/h1-29H.
What are the key properties of N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-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-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167123209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).