N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine

C48H36N2OS — CID 168814387

IUPACN-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine
SMILESC1=CC(C2=CCC(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5c(c34)CCC=C5)C=C2)C2C(=C1)Sc1ccccc12
InChIInChI=1S/C48H36N2OS/c1-2-12-32(13-3-1)50-40-18-7-4-14-36(40)37-29-28-34(30-42(37)50)49(41-19-11-21-44-48(41)38-15-5-8-20-43(38)51-44)33-26-24-31(25-27-33)35-17-10-23-46-47(35)39-16-6-9-22-45(39)52-46/h1-4,6-14,16-26,28-30,33,35,47H,5,15,27H2
InChIKeyXCGBAAJGZVUTRJ-UHFFFAOYSA-N
MW688.90 g/mol
LogP12.84
Rot. Bonds5

About N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine

N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine (PubChem CID 168814387) has the molecular formula C48H36N2OS and a molecular weight of 688.90 g/mol. Its IUPAC name is N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine
PubChem CID168814387
Molecular FormulaC48H36N2OS
Molecular Weight688.90 g/mol
Exact Mass688.25
IUPAC NameN-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine
SMILESC1=CC(C2=CCC(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5c(c34)CCC=C5)C=C2)C2C(=C1)Sc1ccccc12
InChIInChI=1S/C48H36N2OS/c1-2-12-32(13-3-1)50-40-18-7-4-14-36(40)37-29-28-34(30-42(37)50)49(41-19-11-21-44-48(41)38-15-5-8-20-43(38)51-44)33-26-24-31(25-27-33)35-17-10-23-46-47(35)39-16-6-9-22-45(39)52-46/h1-4,6-14,16-26,28-30,33,35,47H,5,15,27H2
InChIKeyXCGBAAJGZVUTRJ-UHFFFAOYSA-N
XLogP12.84
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.90
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine with MolForge

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Related Compounds

N-[4-(1,6,7,9b-tetrahydrodibenzofuran-1-yl)cyclohexa-2,4-dien-1-yl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-1-amine
CID 168814800
N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814664
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine
CID 167281741
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 163594248
N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
CID 126727435
N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine
CID 170286626
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-6,9-diphenyl-3,4-dihydrocarbazol-3-amine
CID 163783323
N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 69089757
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine (CID 168814387) is N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine is C1=CC(C2=CCC(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5c(c34)CCC=C5)C=C2)C2C(=C1)Sc1ccccc12.
What is the InChIKey of N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine?
The InChIKey is XCGBAAJGZVUTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2OS/c1-2-12-32(13-3-1)50-40-18-7-4-14-36(40)37-29-28-34(30-42(37)50)49(41-19-11-21-44-48(41)38-15-5-8-20-43(38)51-44)33-26-24-31(25-27-33)35-17-10-23-46-47(35)39-16-6-9-22-45(39)52-46/h1-4,6-14,16-26,28-30,33,35,47H,5,15,27H2.
What are the key properties of N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine?
N-[4-(1,9b-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine has a molecular weight of 688.90 g/mol, XLogP of 12.84, 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-dihydrodibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]-N-(8,9-dihydrodibenzofuran-1-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 168814387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).