N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine

C48H33NO2S — CID 167397352

IUPACN-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine
SMILESC1=CC(c2ccc(N(C3=c4sc5c(-c6ccccc6)cccc5c4=CCC3)c3ccc4c(c3)oc3ccccc34)cc2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C48H33NO2S/c1-2-11-30(12-3-1)35-16-9-18-40-41-19-10-20-42(48(41)52-47(35)40)49(33-27-28-38-36-13-4-6-21-43(36)50-45(38)29-33)32-25-23-31(24-26-32)34-15-8-17-39-37-14-5-7-22-44(37)51-46(34)39/h1-9,11-16,18-19,21-29,39H,10,17,20H2
InChIKeyNHQQFIDMMOYVGM-UHFFFAOYSA-N
MW687.86 g/mol
LogP11.84
Rot. Bonds5

About N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine

N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine (PubChem CID 167397352) has the molecular formula C48H33NO2S and a molecular weight of 687.86 g/mol. Its IUPAC name is N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine
PubChem CID167397352
Molecular FormulaC48H33NO2S
Molecular Weight687.86 g/mol
Exact Mass687.22
IUPAC NameN-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine
SMILESC1=CC(c2ccc(N(C3=c4sc5c(-c6ccccc6)cccc5c4=CCC3)c3ccc4c(c3)oc3ccccc34)cc2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C48H33NO2S/c1-2-11-30(12-3-1)35-16-9-18-40-41-19-10-20-42(48(41)52-47(35)40)49(33-27-28-38-36-13-4-6-21-43(36)50-45(38)29-33)32-25-23-31(24-26-32)34-15-8-17-39-37-14-5-7-22-44(37)51-46(34)39/h1-9,11-16,18-19,21-29,39H,10,17,20H2
InChIKeyNHQQFIDMMOYVGM-UHFFFAOYSA-N
XLogP11.84
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.86
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 130390524
2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170300280
N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine
CID 129194386
N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-[4-(2,3-dihydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-2,3,8,9-tetrahydrodibenzothiophen-4-amine
CID 167396274
N-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dihydronaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-2,3-dihydrodibenzothiophen-4-amine
CID 167397095
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine
CID 168814554
N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494387
18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 160973623
N-dibenzofuran-3-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
CID 164988844
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771617

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine (CID 167397352) is N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine is C1=CC(c2ccc(N(C3=c4sc5c(-c6ccccc6)cccc5c4=CCC3)c3ccc4c(c3)oc3ccccc34)cc2)=C2Oc3ccccc3C2C1.
What is the InChIKey of N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine?
The InChIKey is NHQQFIDMMOYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO2S/c1-2-11-30(12-3-1)35-16-9-18-40-41-19-10-20-42(48(41)52-47(35)40)49(33-27-28-38-36-13-4-6-21-43(36)50-45(38)29-33)32-25-23-31(24-26-32)34-15-8-17-39-37-14-5-7-22-44(37)51-46(34)39/h1-9,11-16,18-19,21-29,39H,10,17,20H2.
What are the key properties of N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine?
N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine has a molecular weight of 687.86 g/mol, XLogP of 11.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine is sourced from PubChem (CID 167397352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).