N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide

C86H52N6S3 — CID 126652713

IUPACN,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nn1c2ccccc2c2cc(-c3ccc4c(c3)sc3ccccc34)ccc21)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)cc1
InChIInChI=1S/C86H52N6S3/c87-85(51-28-36-59(37-29-51)90-73-22-7-1-16-61(73)70-45-52(33-41-75(70)90)55-30-38-67-64-19-4-10-25-79(64)93-82(67)48-55)88-86(89-92-77-24-9-3-18-63(77)72-47-54(35-43-78(72)92)57-32-40-69-66-21-6-12-27-81(66)95-84(69)50-57)58-14-13-15-60(44-58)91-74-23-8-2-17-62(74)71-46-53(34-42-76(71)91)56-31-39-68-65-20-5-11-26-80(65)94-83(68)49-56/h1-50H,(H2,87,88,89)
InChIKeyRWEDOBFAWOXVJO-UHFFFAOYSA-N
MW1265.61 g/mol
LogP24.11
Rot. Bonds8

About N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide

N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide (PubChem CID 126652713) has the molecular formula C86H52N6S3 and a molecular weight of 1265.61 g/mol. Its IUPAC name is N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide
PubChem CID126652713
Molecular FormulaC86H52N6S3
Molecular Weight1265.61 g/mol
Exact Mass1264.34
IUPAC NameN,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nn1c2ccccc2c2cc(-c3ccc4c(c3)sc3ccccc34)ccc21)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)cc1
InChIInChI=1S/C86H52N6S3/c87-85(51-28-36-59(37-29-51)90-73-22-7-1-16-61(73)70-45-52(33-41-75(70)90)55-30-38-67-64-19-4-10-25-79(64)93-82(67)48-55)88-86(89-92-77-24-9-3-18-63(77)72-47-54(35-43-78(72)92)57-32-40-69-66-21-6-12-27-81(66)95-84(69)50-57)58-14-13-15-60(44-58)91-74-23-8-2-17-62(74)71-46-53(34-42-76(71)91)56-31-39-68-65-20-5-11-26-80(65)94-83(68)49-56/h1-50H,(H2,87,88,89)
InChIKeyRWEDOBFAWOXVJO-UHFFFAOYSA-N
XLogP24.11
TPSA63.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.61
LogP ≤ 524.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide
CID 144925903
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
N-[[(2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)amino]-phenylmethylidene]benzenecarboximidamide
CID 139307555
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole
CID 126632090
N-[phenyl-[(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)amino]methylidene]benzenecarboximidamide
CID 145094324
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316

Frequently Asked Questions

What is the IUPAC name of N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide?
The IUPAC name of N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide (CID 126652713) is N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide.
What is the SMILES notation for N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide?
The canonical SMILES for N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide is [H]/N=C(/N=C(/Nn1c2ccccc2c2cc(-c3ccc4c(c3)sc3ccccc34)ccc21)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)cc1.
What is the InChIKey of N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide?
The InChIKey is RWEDOBFAWOXVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N6S3/c87-85(51-28-36-59(37-29-51)90-73-22-7-1-16-61(73)70-45-52(33-41-75(70)90)55-30-38-67-64-19-4-10-25-79(64)93-82(67)48-55)88-86(89-92-77-24-9-3-18-63(77)72-47-54(35-43-78(72)92)57-32-40-69-66-21-6-12-27-81(66)95-84(69)50-57)58-14-13-15-60(44-58)91-74-23-8-2-17-62(74)71-46-53(34-42-76(71)91)56-31-39-68-65-20-5-11-26-80(65)94-83(68)49-56/h1-50H,(H2,87,88,89).
What are the key properties of N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide?
N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide has a molecular weight of 1265.61 g/mol, XLogP of 24.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide is sourced from PubChem (CID 126652713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).