7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine

C42H28N2OS — CID 131980025

IUPAC7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5cc(Nc6ccc7oc8ccccc8c7c6)ccc5c4c3)cc2)cc1
InChIInChI=1S/C42H28N2OS/c1-3-9-28(10-4-1)29-15-19-33(20-16-29)44(32-11-5-2-6-12-32)34-21-24-41-38(27-34)36-22-17-31(26-42(36)46-41)43-30-18-23-40-37(25-30)35-13-7-8-14-39(35)45-40/h1-27,43H
InChIKeyIPWDGIZCNIMTAO-UHFFFAOYSA-N
MW608.77 g/mol
LogP12.83
Rot. Bonds6

About 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine

7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine (PubChem CID 131980025) has the molecular formula C42H28N2OS and a molecular weight of 608.77 g/mol. Its IUPAC name is 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
PubChem CID131980025
Molecular FormulaC42H28N2OS
Molecular Weight608.77 g/mol
Exact Mass608.19
IUPAC Name7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5cc(Nc6ccc7oc8ccccc8c7c6)ccc5c4c3)cc2)cc1
InChIInChI=1S/C42H28N2OS/c1-3-9-28(10-4-1)29-15-19-33(20-16-29)44(32-11-5-2-6-12-32)34-21-24-41-38(27-34)36-22-17-31(26-42(36)46-41)43-30-18-23-40-37(25-30)35-13-7-8-14-39(35)45-40/h1-27,43H
InChIKeyIPWDGIZCNIMTAO-UHFFFAOYSA-N
XLogP12.83
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.77
LogP ≤ 512.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
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
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(4-phenylphenyl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 162475623
8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235194
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 157139341

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine (CID 131980025) is 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5cc(Nc6ccc7oc8ccccc8c7c6)ccc5c4c3)cc2)cc1.
What is the InChIKey of 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
The InChIKey is IPWDGIZCNIMTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2OS/c1-3-9-28(10-4-1)29-15-19-33(20-16-29)44(32-11-5-2-6-12-32)34-21-24-41-38(27-34)36-22-17-31(26-42(36)46-41)43-30-18-23-40-37(25-30)35-13-7-8-14-39(35)45-40/h1-27,43H.
What are the key properties of 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine?
7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine has a molecular weight of 608.77 g/mol, XLogP of 12.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine is sourced from PubChem (CID 131980025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).