N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

C45H31NOS — CID 129094564

IUPACN-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESC=Cc1ccc2sc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccc7ccccc7c6c5c4)cc3c2c1/C=C\C
InChIInChI=1S/C45H31NOS/c1-3-10-36-29(4-2)18-25-43-45(36)39-28-35(22-26-42(39)48-43)46(33-19-15-31(16-20-33)30-11-6-5-7-12-30)34-21-24-40-38(27-34)44-37-14-9-8-13-32(37)17-23-41(44)47-40/h3-28H,2H2,1H3/b10-3-
InChIKeyOGOMUMPXUOYNPI-KMKOMSMNSA-N
MW633.82 g/mol
LogP13.92
Rot. Bonds6

About N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 129094564) has the molecular formula C45H31NOS and a molecular weight of 633.82 g/mol. Its IUPAC name is N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID129094564
Molecular FormulaC45H31NOS
Molecular Weight633.82 g/mol
Exact Mass633.21
IUPAC NameN-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESC=Cc1ccc2sc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccc7ccccc7c6c5c4)cc3c2c1/C=C\C
InChIInChI=1S/C45H31NOS/c1-3-10-36-29(4-2)18-25-43-45(36)39-28-35(22-26-42(39)48-43)46(33-19-15-31(16-20-33)30-11-6-5-7-12-30)34-21-24-40-38(27-34)44-37-14-9-8-13-32(37)17-23-41(44)47-40/h3-28H,2H2,1H3/b10-3-
InChIKeyOGOMUMPXUOYNPI-KMKOMSMNSA-N
XLogP13.92
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.82
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[2,1-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 118616579
8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
CID 170044237
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 172508784
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508758
N-naphtho[2,1-b][1]benzothiol-10-yl-9-phenanthren-2-yl-N-phenyldibenzofuran-2-amine
CID 172508793
N-(3-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-N,8-diphenyldibenzothiophen-2-amine
CID 170050563
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine
CID 138604561
(Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 145430425
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307

Frequently Asked Questions

What is the IUPAC name of N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 129094564) is N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is C=Cc1ccc2sc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccc7ccccc7c6c5c4)cc3c2c1/C=C\C.
What is the InChIKey of N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is OGOMUMPXUOYNPI-KMKOMSMNSA-N. The full InChI is InChI=1S/C45H31NOS/c1-3-10-36-29(4-2)18-25-43-45(36)39-28-35(22-26-42(39)48-43)46(33-19-15-31(16-20-33)30-11-6-5-7-12-30)34-21-24-40-38(27-34)44-37-14-9-8-13-32(37)17-23-41(44)47-40/h3-28H,2H2,1H3/b10-3-.
What are the key properties of N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 633.82 g/mol, XLogP of 13.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 129094564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).