N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

C48H31NOS — CID 171435113

IUPACN-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)c5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C48H31NOS/c1-3-13-32(14-4-1)35-17-11-18-36(31-35)33-25-27-37(28-26-33)49(41-21-12-23-44-47(41)39-19-7-9-22-43(39)50-44)42-30-29-38(34-15-5-2-6-16-34)46-40-20-8-10-24-45(40)51-48(42)46/h1-31H
InChIKeyNRKVVFMPWKYCNN-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.42
Rot. Bonds6

About N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 171435113) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID171435113
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC NameN-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)c5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C48H31NOS/c1-3-13-32(14-4-1)35-17-11-18-36(31-35)33-25-27-37(28-26-33)49(41-21-12-23-44-47(41)39-19-7-9-22-43(39)50-44)42-30-29-38(34-15-5-2-6-16-34)46-40-20-8-10-24-45(40)51-48(42)46/h1-31H
InChIKeyNRKVVFMPWKYCNN-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-1-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435301
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-(4-dibenzofuran-3-ylphenyl)-N,1-diphenyldibenzothiophen-4-amine
CID 171435391
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)dibenzofuran-1-amine
CID 155186941
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434894
N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 171435319
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 171435150
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
1-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 168804602

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 171435113) is N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)c5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)c2)cc1.
What is the InChIKey of N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is NRKVVFMPWKYCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-3-13-32(14-4-1)35-17-11-18-36(31-35)33-25-27-37(28-26-33)49(41-21-12-23-44-47(41)39-19-7-9-22-43(39)50-44)42-30-29-38(34-15-5-2-6-16-34)46-40-20-8-10-24-45(40)51-48(42)46/h1-31H.
What are the key properties of N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-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-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 171435113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).