N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine

C113H90N8S2 — CID 160870248

IUPACN-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine
SMILESCN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CN(c1ccccc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CN(c1ccccc1)c1ccc2sc3ccccc3c2c1.CN(c1ccccc1)c1cccc2c3ccccc3n(-c3ccccc3)c12.CN(c1ccccc1)c1cccc2sc3ccccc3c12
InChIInChI=1S/3C25H20N2.2C19H15NS/c1-26(19-11-4-2-5-12-19)24-18-10-16-22-21-15-8-9-17-23(21)27(25(22)24)20-13-6-3-7-14-20;1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20;1-26(19-10-4-2-5-11-19)21-16-17-23-22-14-8-9-15-24(22)27(25(23)18-21)20-12-6-3-7-13-20;1-20(14-8-3-2-4-9-14)16-11-7-13-18-19(16)15-10-5-6-12-17(15)21-18;1-20(14-7-3-2-4-8-14)15-11-12-19-17(13-15)16-9-5-6-10-18(16)21-19/h3*2-18H,1H3;2*2-13H,1H3
InChIKeySLQUYUCMLQZTTP-UHFFFAOYSA-N
MW1624.15 g/mol
LogP31.30
Rot. Bonds13

About N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine

N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine (PubChem CID 160870248) has the molecular formula C113H90N8S2 and a molecular weight of 1624.15 g/mol. Its IUPAC name is N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine
PubChem CID160870248
Molecular FormulaC113H90N8S2
Molecular Weight1624.15 g/mol
Exact Mass1622.67
IUPAC NameN-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine
SMILESCN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CN(c1ccccc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CN(c1ccccc1)c1ccc2sc3ccccc3c2c1.CN(c1ccccc1)c1cccc2c3ccccc3n(-c3ccccc3)c12.CN(c1ccccc1)c1cccc2sc3ccccc3c12
InChIInChI=1S/3C25H20N2.2C19H15NS/c1-26(19-11-4-2-5-12-19)24-18-10-16-22-21-15-8-9-17-23(21)27(25(22)24)20-13-6-3-7-14-20;1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20;1-26(19-10-4-2-5-11-19)21-16-17-23-22-14-8-9-15-24(22)27(25(23)18-21)20-12-6-3-7-13-20;1-20(14-8-3-2-4-9-14)16-11-7-13-18-19(16)15-10-5-6-12-17(15)21-18;1-20(14-7-3-2-4-8-14)15-11-12-19-17(13-15)16-9-5-6-10-18(16)21-19/h3*2-18H,1H3;2*2-13H,1H3
InChIKeySLQUYUCMLQZTTP-UHFFFAOYSA-N
XLogP31.30
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001624.15
LogP ≤ 531.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine
CID 170042320
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-methyl-N-phenyldibenzothiophen-1-amine
CID 137491193
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 164980163
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 164995259
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine (CID 160870248) is N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine is CN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CN(c1ccccc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CN(c1ccccc1)c1ccc2sc3ccccc3c2c1.CN(c1ccccc1)c1cccc2c3ccccc3n(-c3ccccc3)c12.CN(c1ccccc1)c1cccc2sc3ccccc3c12.
What is the InChIKey of N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine?
The InChIKey is SLQUYUCMLQZTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H20N2.2C19H15NS/c1-26(19-11-4-2-5-12-19)24-18-10-16-22-21-15-8-9-17-23(21)27(25(22)24)20-13-6-3-7-14-20;1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20;1-26(19-10-4-2-5-11-19)21-16-17-23-22-14-8-9-15-24(22)27(25(23)18-21)20-12-6-3-7-13-20;1-20(14-8-3-2-4-9-14)16-11-7-13-18-19(16)15-10-5-6-12-17(15)21-18;1-20(14-7-3-2-4-8-14)15-11-12-19-17(13-15)16-9-5-6-10-18(16)21-19/h3*2-18H,1H3;2*2-13H,1H3.
What are the key properties of N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine?
N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine has a molecular weight of 1624.15 g/mol, XLogP of 31.30, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,9-diphenylcarbazol-1-amine;N-methyl-N,9-diphenylcarbazol-2-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyldibenzothiophen-1-amine;N-methyl-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 160870248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).