N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

C41H24N2O2S — CID 177081277

IUPACN-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)sc2cccc(-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C41H24N2O2S/c1-2-10-26(11-3-1)43(27-18-21-30-31-20-17-25-9-4-5-12-29(25)40(31)44-36(30)23-27)28-19-22-32-38(24-28)46-37-16-8-13-33(39(32)37)41-42-34-14-6-7-15-35(34)45-41/h1-24H
InChIKeyQXDCPAWNKDFKSZ-UHFFFAOYSA-N
MW608.72 g/mol
LogP12.39
Rot. Bonds4

About N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 177081277) has the molecular formula C41H24N2O2S and a molecular weight of 608.72 g/mol. Its IUPAC name is N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID177081277
Molecular FormulaC41H24N2O2S
Molecular Weight608.72 g/mol
Exact Mass608.16
IUPAC NameN-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)sc2cccc(-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C41H24N2O2S/c1-2-10-26(11-3-1)43(27-18-21-30-31-20-17-25-9-4-5-12-29(25)40(31)44-36(30)23-27)28-19-22-32-38(24-28)46-37-16-8-13-33(39(32)37)41-42-34-14-6-7-15-35(34)45-41/h1-24H
InChIKeyQXDCPAWNKDFKSZ-UHFFFAOYSA-N
XLogP12.39
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.72
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 177082052
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 177081402
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 177082246
N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081963
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082409
5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 171755349
9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
CID 177082033
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 177081805
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 177082295
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
CID 177081610
9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
CID 177081834
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356

Frequently Asked Questions

What is the IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 177081277) is N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)sc2cccc(-c4nc5ccccc5o4)c23)cc1.
What is the InChIKey of N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is QXDCPAWNKDFKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O2S/c1-2-10-26(11-3-1)43(27-18-21-30-31-20-17-25-9-4-5-12-29(25)40(31)44-36(30)23-27)28-19-22-32-38(24-28)46-37-16-8-13-33(39(32)37)41-42-34-14-6-7-15-35(34)45-41/h1-24H.
What are the key properties of N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 608.72 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 177081277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).