9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine

C46H44N8O — CID 145125471

IUPAC9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine
SMILESCN(C)c1ccc2c(c1)c1cc(N(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2-n2c3ccc(N(C)C)cc3c3cc(N(C)C)ccc32)o1
InChIInChI=1S/C46H44N8O/c1-49(2)29-17-21-41-35(25-29)36-26-30(50(3)4)18-22-42(36)53(41)39-15-11-9-13-33(39)45-47-48-46(55-45)34-14-10-12-16-40(34)54-43-23-19-31(51(5)6)27-37(43)38-28-32(52(7)8)20-24-44(38)54/h9-28H,1-8H3
InChIKeyBZCAWNUBXWOAAP-UHFFFAOYSA-N
MW724.91 g/mol
LogP9.86
Rot. Bonds8

About 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine

9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine (PubChem CID 145125471) has the molecular formula C46H44N8O and a molecular weight of 724.91 g/mol. Its IUPAC name is 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine
PubChem CID145125471
Molecular FormulaC46H44N8O
Molecular Weight724.91 g/mol
Exact Mass724.36
IUPAC Name9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine
SMILESCN(C)c1ccc2c(c1)c1cc(N(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2-n2c3ccc(N(C)C)cc3c3cc(N(C)C)ccc32)o1
InChIInChI=1S/C46H44N8O/c1-49(2)29-17-21-41-35(25-29)36-26-30(50(3)4)18-22-42(36)53(41)39-15-11-9-13-33(39)45-47-48-46(55-45)34-14-10-12-16-40(34)54-43-23-19-31(51(5)6)27-37(43)38-28-32(52(7)8)20-24-44(38)54/h9-28H,1-8H3
InChIKeyBZCAWNUBXWOAAP-UHFFFAOYSA-N
XLogP9.86
TPSA61.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine with MolForge

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Related Compounds

3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine
CID 122432622
2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole
CID 122432868
2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158447388
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
3-N,3-N,6-N,6-N-tetraphenyl-9-[2-[4-(6-phenyl-2-pyridinyl)phenyl]phenyl]carbazole-3,6-diamine
CID 138675153
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-methyl-4-phenylaniline
CID 170227325
2-[2,6-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 122432555
trimethyl-[9-(2-phenylphenyl)carbazol-3-yl]silane
CID 175089123
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline
CID 121386055
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine
CID 167322537
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714

Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine?
The IUPAC name of 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine (CID 145125471) is 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine.
What is the SMILES notation for 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine?
The canonical SMILES for 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine is CN(C)c1ccc2c(c1)c1cc(N(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2-n2c3ccc(N(C)C)cc3c3cc(N(C)C)ccc32)o1.
What is the InChIKey of 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine?
The InChIKey is BZCAWNUBXWOAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N8O/c1-49(2)29-17-21-41-35(25-29)36-26-30(50(3)4)18-22-42(36)53(41)39-15-11-9-13-33(39)45-47-48-46(55-45)34-14-10-12-16-40(34)54-43-23-19-31(51(5)6)27-37(43)38-28-32(52(7)8)20-24-44(38)54/h9-28H,1-8H3.
What are the key properties of 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine?
9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine has a molecular weight of 724.91 g/mol, XLogP of 9.86, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine is sourced from PubChem (CID 145125471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).