N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine

C43H27N3O2 — CID 167123592

IUPACN,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3c(ccc4oc5c(N(c6ccccc6)c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc5c43)o2)cc1
InChIInChI=1S/C43H27N3O2/c1-4-14-28(15-5-1)43-44-40-38(48-43)27-26-37-39(40)33-22-13-25-36(42(33)47-37)45(29-16-6-2-7-17-29)35-24-12-21-32-31-20-10-11-23-34(31)46(41(32)35)30-18-8-3-9-19-30/h1-27H
InChIKeyPMDRCVXILYEJJA-UHFFFAOYSA-N
MW617.71 g/mol
LogP11.96
Rot. Bonds5

About N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine

N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine (PubChem CID 167123592) has the molecular formula C43H27N3O2 and a molecular weight of 617.71 g/mol. Its IUPAC name is N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
PubChem CID167123592
Molecular FormulaC43H27N3O2
Molecular Weight617.71 g/mol
Exact Mass617.21
IUPAC NameN,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3c(ccc4oc5c(N(c6ccccc6)c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc5c43)o2)cc1
InChIInChI=1S/C43H27N3O2/c1-4-14-28(15-5-1)43-44-40-38(48-43)27-26-37-39(40)33-22-13-25-36(42(33)47-37)45(29-16-6-2-7-17-29)35-24-12-21-32-31-20-10-11-23-34(31)46(41(32)35)30-18-8-3-9-19-30/h1-27H
InChIKeyPMDRCVXILYEJJA-UHFFFAOYSA-N
XLogP11.96
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.71
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine with MolForge

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Related Compounds

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-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
CID 167123589
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123209
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167123619
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124892
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine
CID 167128927
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135
2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167129198
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
CID 167130031
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124929

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine?
The IUPAC name of N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine (CID 167123592) is N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine.
What is the SMILES notation for N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine?
The canonical SMILES for N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine is c1ccc(-c2nc3c(ccc4oc5c(N(c6ccccc6)c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc5c43)o2)cc1.
What is the InChIKey of N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine?
The InChIKey is PMDRCVXILYEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O2/c1-4-14-28(15-5-1)43-44-40-38(48-43)27-26-37-39(40)33-22-13-25-36(42(33)47-37)45(29-16-6-2-7-17-29)35-24-12-21-32-31-20-10-11-23-34(31)46(41(32)35)30-18-8-3-9-19-30/h1-27H.
What are the key properties of N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine?
N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine has a molecular weight of 617.71 g/mol, XLogP of 11.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine is sourced from PubChem (CID 167123592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).