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

C49H29N3O3 — CID 167125034

IUPACN-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c43)o2)cc1
InChIInChI=1S/C49H29N3O3/c1-3-11-30(12-4-1)49-50-48-46(55-49)26-25-45-47(48)39-28-33(21-24-44(39)54-45)51(32-20-23-43-38(27-32)37-16-8-10-18-42(37)53-43)34-19-22-36-35-15-7-9-17-40(35)52(41(36)29-34)31-13-5-2-6-14-31/h1-29H
InChIKeyQLRGJGMXDPNXHI-UHFFFAOYSA-N
MW707.79 g/mol
LogP13.86
Rot. Bonds5

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

N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine (PubChem CID 167125034) has the molecular formula C49H29N3O3 and a molecular weight of 707.79 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
PubChem CID167125034
Molecular FormulaC49H29N3O3
Molecular Weight707.79 g/mol
Exact Mass707.22
IUPAC NameN-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c43)o2)cc1
InChIInChI=1S/C49H29N3O3/c1-3-11-30(12-4-1)49-50-48-46(55-49)26-25-45-47(48)39-28-33(21-24-44(39)54-45)51(32-20-23-43-38(27-32)37-16-8-10-18-42(37)53-43)34-19-22-36-35-15-7-9-17-40(35)52(41(36)29-34)31-13-5-2-6-14-31/h1-29H
InChIKeyQLRGJGMXDPNXHI-UHFFFAOYSA-N
XLogP13.86
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.79
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,9-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170395939
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
N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170424843
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127943
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123462
4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine
CID 170247611
2-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-8-amine
CID 170025266
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174294004
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The IUPAC name of N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine (CID 167125034) is N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The canonical SMILES for N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine is c1ccc(-c2nc3c(ccc4oc5ccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c43)o2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
The InChIKey is QLRGJGMXDPNXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O3/c1-3-11-30(12-4-1)49-50-48-46(55-49)26-25-45-47(48)39-28-33(21-24-44(39)54-45)51(32-20-23-43-38(27-32)37-16-8-10-18-42(37)53-43)34-19-22-36-35-15-7-9-17-40(35)52(41(36)29-34)31-13-5-2-6-14-31/h1-29H.
What are the key properties of N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine?
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine has a molecular weight of 707.79 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine is sourced from PubChem (CID 167125034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).