5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine

C73H58N6 — CID 146236366

IUPAC5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine
SMILESCc1ccc2c3ccc(C)cc3n(-c3nc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c(-n4c5cc(C)ccc5c5ccc(C)cc54)c(-c4c(C)cccc4C)c3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1
InChIInChI=1S/C73H58N6/c1-43-25-31-52-53-32-26-44(2)38-63(53)76(62(52)37-43)70-69(68-49(7)17-16-18-50(68)8)71(77-64-39-45(3)27-33-54(64)55-34-28-46(4)40-65(55)77)73(79-66-41-47(5)29-35-56(66)57-36-30-48(6)42-67(57)79)74-72(70)78-60-23-14-12-21-58(60)75(51-19-10-9-11-20-51)59-22-13-15-24-61(59)78/h9-42H,1-8H3
InChIKeyBSNLJFTZZHPAIQ-UHFFFAOYSA-N
MW1019.31 g/mol
LogP19.76
Rot. Bonds6

About 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine

5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine (PubChem CID 146236366) has the molecular formula C73H58N6 and a molecular weight of 1019.31 g/mol. Its IUPAC name is 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine.

Molecular Properties

Compound Name5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine
PubChem CID146236366
Molecular FormulaC73H58N6
Molecular Weight1019.31 g/mol
Exact Mass1018.47
IUPAC Name5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine
SMILESCc1ccc2c3ccc(C)cc3n(-c3nc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c(-n4c5cc(C)ccc5c5ccc(C)cc54)c(-c4c(C)cccc4C)c3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1
InChIInChI=1S/C73H58N6/c1-43-25-31-52-53-32-26-44(2)38-63(53)76(62(52)37-43)70-69(68-49(7)17-16-18-50(68)8)71(77-64-39-45(3)27-33-54(64)55-34-28-46(4)40-65(55)77)73(79-66-41-47(5)29-35-56(66)57-36-30-48(6)42-67(57)79)74-72(70)78-60-23-14-12-21-58(60)75(51-19-10-9-11-20-51)59-22-13-15-24-61(59)78/h9-42H,1-8H3
InChIKeyBSNLJFTZZHPAIQ-UHFFFAOYSA-N
XLogP19.76
TPSA34.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.31
LogP ≤ 519.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine?
The IUPAC name of 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine (CID 146236366) is 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine.
What is the SMILES notation for 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine?
The canonical SMILES for 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine is Cc1ccc2c3ccc(C)cc3n(-c3nc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c(-n4c5cc(C)ccc5c5ccc(C)cc54)c(-c4c(C)cccc4C)c3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1.
What is the InChIKey of 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine?
The InChIKey is BSNLJFTZZHPAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58N6/c1-43-25-31-52-53-32-26-44(2)38-63(53)76(62(52)37-43)70-69(68-49(7)17-16-18-50(68)8)71(77-64-39-45(3)27-33-54(64)55-34-28-46(4)40-65(55)77)73(79-66-41-47(5)29-35-56(66)57-36-30-48(6)42-67(57)79)74-72(70)78-60-23-14-12-21-58(60)75(51-19-10-9-11-20-51)59-22-13-15-24-61(59)78/h9-42H,1-8H3.
What are the key properties of 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine?
5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine has a molecular weight of 1019.31 g/mol, XLogP of 19.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10-[3,5,6-tris(2,7-dimethylcarbazol-9-yl)-4-(2,6-dimethylphenyl)-2-pyridinyl]phenazine is sourced from PubChem (CID 146236366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).