N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

C52H33NOS — CID 156522448

IUPACN-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccccc5c4-c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-34(12-3-1)35-21-23-36(24-22-35)37-25-28-39(29-26-37)53(40-30-32-49-46(33-40)42-15-6-8-19-48(42)54-49)47-31-27-38-13-4-5-14-41(38)51(47)45-18-10-17-44-43-16-7-9-20-50(43)55-52(44)45/h1-33H
InChIKeyMMGJCFUKLVLTFQ-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 156522448) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID156522448
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccccc5c4-c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-34(12-3-1)35-21-23-36(24-22-35)37-25-28-39(29-26-37)53(40-30-32-49-46(33-40)42-15-6-8-19-48(42)54-49)47-31-27-38-13-4-5-14-41(38)51(47)45-18-10-17-44-43-16-7-9-20-50(43)55-52(44)45/h1-33H
InChIKeyMMGJCFUKLVLTFQ-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300504
7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 170536229
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168766755
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355
N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 158922916
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 168766762
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
N-(4-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 158969045
N-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 165062465
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 156522448) is N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5ccccc5c4-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is MMGJCFUKLVLTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-11-34(12-3-1)35-21-23-36(24-22-35)37-25-28-39(29-26-37)53(40-30-32-49-46(33-40)42-15-6-8-19-48(42)54-49)47-31-27-38-13-4-5-14-41(38)51(47)45-18-10-17-44-43-16-7-9-20-50(43)55-52(44)45/h1-33H.
What are the key properties of N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 156522448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).