N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine

C41H26N2OS — CID 163507205

IUPACN-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C41H26N2OS/c1-2-10-27(11-3-1)31-12-4-5-13-32(31)28-18-20-29(21-19-28)43(30-22-23-34-33-14-6-8-16-36(33)44-37(34)26-30)40-25-24-39-41(42-40)35-15-7-9-17-38(35)45-39/h1-26H
InChIKeyCZNRRWXHRKQNPX-UHFFFAOYSA-N
MW594.74 g/mol
LogP12.15
Rot. Bonds5

About N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine

N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine (PubChem CID 163507205) has the molecular formula C41H26N2OS and a molecular weight of 594.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine
PubChem CID163507205
Molecular FormulaC41H26N2OS
Molecular Weight594.74 g/mol
Exact Mass594.18
IUPAC NameN-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C41H26N2OS/c1-2-10-27(11-3-1)31-12-4-5-13-32(31)28-18-20-29(21-19-28)43(30-22-23-34-33-14-6-8-16-36(33)44-37(34)26-30)40-25-24-39-41(42-40)35-15-7-9-17-38(35)45-39/h1-26H
InChIKeyCZNRRWXHRKQNPX-UHFFFAOYSA-N
XLogP12.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.74
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-dibenzofuran-3-yl-N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 153300507
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-dibenzofuran-3-yl-N-[4-(9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 153300564
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-3-amine
CID 171411740
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445
N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167125100
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281468

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine (CID 163507205) is N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4n3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine?
The InChIKey is CZNRRWXHRKQNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2OS/c1-2-10-27(11-3-1)31-12-4-5-13-32(31)28-18-20-29(21-19-28)43(30-22-23-34-33-14-6-8-16-36(33)44-37(34)26-30)40-25-24-39-41(42-40)35-15-7-9-17-38(35)45-39/h1-26H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine?
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine has a molecular weight of 594.74 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine is sourced from PubChem (CID 163507205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).