N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine

C44H27NOS — CID 163425297

IUPACN-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc3c(ccc4cc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5sc5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C44H27NOS/c1-2-9-28(10-3-1)29-19-22-34-30(25-29)17-18-31-26-32(20-23-35(31)34)45(33-21-24-42-39(27-33)36-11-4-6-15-41(36)46-42)40-14-8-13-38-37-12-5-7-16-43(37)47-44(38)40/h1-27H
InChIKeyCHQKNDPMNJVHJU-UHFFFAOYSA-N
MW617.77 g/mol
LogP13.40
Rot. Bonds4

About N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine

N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine (PubChem CID 163425297) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
PubChem CID163425297
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC NameN-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc3c(ccc4cc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5sc5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C44H27NOS/c1-2-9-28(10-3-1)29-19-22-34-30(25-29)17-18-31-26-32(20-23-35(31)34)45(33-21-24-42-39(27-33)36-11-4-6-15-41(36)46-42)40-14-8-13-38-37-12-5-7-16-43(37)47-44(38)40/h1-27H
InChIKeyCHQKNDPMNJVHJU-UHFFFAOYSA-N
XLogP13.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.77
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425294
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-[4-(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-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 164974665
N-dibenzothiophen-4-yl-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164952492

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine (CID 163425297) is N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine is c1ccc(-c2ccc3c(ccc4cc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5sc5ccccc56)ccc43)c2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine?
The InChIKey is CHQKNDPMNJVHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-2-9-28(10-3-1)29-19-22-34-30(25-29)17-18-31-26-32(20-23-35(31)34)45(33-21-24-42-39(27-33)36-11-4-6-15-41(36)46-42)40-14-8-13-38-37-12-5-7-16-43(37)47-44(38)40/h1-27H.
What are the key properties of N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine?
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine has a molecular weight of 617.77 g/mol, XLogP of 13.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 163425297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).