N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine

C49H29N3O3 — CID 167127943

IUPACN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
SMILESc1ccc(-c2nc3cc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4cc3o2)cc1
InChIInChI=1S/C49H29N3O3/c1-3-11-30(12-4-1)49-50-41-29-47-40(28-48(41)55-49)39-25-32(21-24-45(39)54-47)51(34-20-23-38-37-16-8-10-18-44(37)53-46(38)27-34)33-19-22-36-35-15-7-9-17-42(35)52(43(36)26-33)31-13-5-2-6-14-31/h1-29H
InChIKeySFECQQARJFDCQY-UHFFFAOYSA-N
MW707.79 g/mol
LogP13.86
Rot. Bonds5

About N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine

N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine (PubChem CID 167127943) has the molecular formula C49H29N3O3 and a molecular weight of 707.79 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
PubChem CID167127943
Molecular FormulaC49H29N3O3
Molecular Weight707.79 g/mol
Exact Mass707.22
IUPAC NameN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
SMILESc1ccc(-c2nc3cc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4cc3o2)cc1
InChIInChI=1S/C49H29N3O3/c1-3-11-30(12-4-1)49-50-41-29-47-40(28-48(41)55-49)39-25-32(21-24-45(39)54-47)51(34-20-23-38-37-16-8-10-18-44(37)53-46(38)27-34)33-19-22-36-35-15-7-9-17-42(35)52(43(36)26-33)31-13-5-2-6-14-31/h1-29H
InChIKeySFECQQARJFDCQY-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

2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128479
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776846
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128330
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167130122
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128694
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167125034
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128648
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174294004
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128284
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine (CID 167127943) is N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The canonical SMILES for N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine is c1ccc(-c2nc3cc4oc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4cc3o2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The InChIKey is SFECQQARJFDCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O3/c1-3-11-30(12-4-1)49-50-41-29-47-40(28-48(41)55-49)39-25-32(21-24-45(39)54-47)51(34-20-23-38-37-16-8-10-18-44(37)53-46(38)27-34)33-19-22-36-35-15-7-9-17-42(35)52(43(36)26-33)31-13-5-2-6-14-31/h1-29H.
What are the key properties of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-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-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine is sourced from PubChem (CID 167127943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).