N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole

C70H70N2S — CID 144624109

IUPACN-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole
SMILESC=Nc1c(-c2ccc(-c3cccc(C4=C(C)C=CCC4)c3C)cc2)ccc(-c2ccc(-c3cccc4c5c(sc34)C=CCC5)cc2)c1C.CC.CC.CCc1ccc(-n2c3c(c4ccccc42)C=CCC3)cc1
InChIInChI=1S/C46H39NS.C20H19N.2C2H6/c1-29-11-5-6-12-36(29)39-15-9-14-37(30(39)2)32-19-23-34(24-20-32)40-28-27-38(31(3)45(40)47-4)33-21-25-35(26-22-33)41-16-10-17-43-42-13-7-8-18-44(42)48-46(41)43;1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;2*1-2/h5,8-11,14-28H,4,6-7,12-13H2,1-3H3;3-5,7-9,11-14H,2,6,10H2,1H3;2*1-2H3
InChIKeyPUSFTVNVXMDDRX-UHFFFAOYSA-N
MW971.41 g/mol
LogP20.81
Rot. Bonds8

About N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole

N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole (PubChem CID 144624109) has the molecular formula C70H70N2S and a molecular weight of 971.41 g/mol. Its IUPAC name is N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole.

Molecular Properties

Compound NameN-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole
PubChem CID144624109
Molecular FormulaC70H70N2S
Molecular Weight971.41 g/mol
Exact Mass970.53
IUPAC NameN-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole
SMILESC=Nc1c(-c2ccc(-c3cccc(C4=C(C)C=CCC4)c3C)cc2)ccc(-c2ccc(-c3cccc4c5c(sc34)C=CCC5)cc2)c1C.CC.CC.CCc1ccc(-n2c3c(c4ccccc42)C=CCC3)cc1
InChIInChI=1S/C46H39NS.C20H19N.2C2H6/c1-29-11-5-6-12-36(29)39-15-9-14-37(30(39)2)32-19-23-34(24-20-32)40-28-27-38(31(3)45(40)47-4)33-21-25-35(26-22-33)41-16-10-17-43-42-13-7-8-18-44(42)48-46(41)43;1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;2*1-2/h5,8-11,14-28H,4,6-7,12-13H2,1-3H3;3-5,7-9,11-14H,2,6,10H2,1H3;2*1-2H3
InChIKeyPUSFTVNVXMDDRX-UHFFFAOYSA-N
XLogP20.81
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.41
LogP ≤ 520.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole with MolForge

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Related Compounds

9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
21-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-9-thia-21-azaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),22,24,26-tridecaene
CID 142289844
3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-6-methyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane
CID 145347717
9-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
CID 70991147
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
8-[4-[4-[[4-(1,2-dihydrocarbazol-9-yl)phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143295809
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole?
The IUPAC name of N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole (CID 144624109) is N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole.
What is the SMILES notation for N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole?
The canonical SMILES for N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole is C=Nc1c(-c2ccc(-c3cccc(C4=C(C)C=CCC4)c3C)cc2)ccc(-c2ccc(-c3cccc4c5c(sc34)C=CCC5)cc2)c1C.CC.CC.CCc1ccc(-n2c3c(c4ccccc42)C=CCC3)cc1.
What is the InChIKey of N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole?
The InChIKey is PUSFTVNVXMDDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39NS.C20H19N.2C2H6/c1-29-11-5-6-12-36(29)39-15-9-14-37(30(39)2)32-19-23-34(24-20-32)40-28-27-38(31(3)45(40)47-4)33-21-25-35(26-22-33)41-16-10-17-43-42-13-7-8-18-44(42)48-46(41)43;1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;2*1-2/h5,8-11,14-28H,4,6-7,12-13H2,1-3H3;3-5,7-9,11-14H,2,6,10H2,1H3;2*1-2H3.
What are the key properties of N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole?
N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole has a molecular weight of 971.41 g/mol, XLogP of 20.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole is sourced from PubChem (CID 144624109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).