N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C31H25NOS — CID 90266444

IUPACN-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESCC(C)Sc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C31H25NOS/c1-21(2)34-26-16-13-24(14-17-26)32(23-9-4-3-5-10-23)25-15-18-28-30(20-25)33-29-19-12-22-8-6-7-11-27(22)31(28)29/h3-21H,1-2H3
InChIKeyNZCQFTIVBFPAFE-UHFFFAOYSA-N
MW459.61 g/mol
LogP9.71
Rot. Bonds5

About N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 90266444) has the molecular formula C31H25NOS and a molecular weight of 459.61 g/mol. Its IUPAC name is N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID90266444
Molecular FormulaC31H25NOS
Molecular Weight459.61 g/mol
Exact Mass459.17
IUPAC NameN-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESCC(C)Sc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C31H25NOS/c1-21(2)34-26-16-13-24(14-17-26)32(23-9-4-3-5-10-23)25-15-18-28-30(20-25)33-29-19-12-22-8-6-7-11-27(22)31(28)29/h3-21H,1-2H3
InChIKeyNZCQFTIVBFPAFE-UHFFFAOYSA-N
XLogP9.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.61
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 158443278
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
3-N-dibenzofuran-2-yl-1-N-dibenzofuran-3-yl-3-N-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)-1-N-phenylbenzene-1,3-diamine
CID 170410406
2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958
7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 146666105
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616609
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
N-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087784
N-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087562
N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167184399
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 90266444) is N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is CC(C)Sc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1.
What is the InChIKey of N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is NZCQFTIVBFPAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NOS/c1-21(2)34-26-16-13-24(14-17-26)32(23-9-4-3-5-10-23)25-15-18-28-30(20-25)33-29-19-12-22-8-6-7-11-27(22)31(28)29/h3-21H,1-2H3.
What are the key properties of N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 459.61 g/mol, XLogP of 9.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-propan-2-ylsulfanylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 90266444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).