N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

C48H31NOS — CID 171435219

IUPACN-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-25-37(26-24-35)49(38-27-30-45-43(31-38)40-15-7-9-17-44(40)50-45)47-39(36-13-5-2-6-14-36)28-29-42-41-16-8-10-18-46(41)51-48(42)47/h1-31H
InChIKeyZIHPDVYDBFIDDT-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.42
Rot. Bonds6

About N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 171435219) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID171435219
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC NameN-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-25-37(26-24-35)49(38-27-30-45-43(31-38)40-15-7-9-17-44(40)50-45)47-39(36-13-5-2-6-14-36)28-29-42-41-16-8-10-18-46(41)51-48(42)47/h1-31H
InChIKeyZIHPDVYDBFIDDT-UHFFFAOYSA-N
XLogP14.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.85
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
CID 171434947
N-(3-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 171434810
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-3-phenyldibenzothiophen-4-amine
CID 171435403
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 171435473
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-yl)dibenzofuran-2-amine
CID 130465348
17-phenyl-N,N-bis(4-phenylphenyl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-16-amine
CID 170536107
N-[4-(3-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzofuran-2-amine;N-[4-(3-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzothiophen-2-amine
CID 158825064
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435440
N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 171435164
3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435530
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435085

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 171435219) is N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is ZIHPDVYDBFIDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-25-37(26-24-35)49(38-27-30-45-43(31-38)40-15-7-9-17-44(40)50-45)47-39(36-13-5-2-6-14-36)28-29-42-41-16-8-10-18-46(41)51-48(42)47/h1-31H.
What are the key properties of N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 669.85 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 171435219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).