3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole

C72H48N6 — CID 146512463

IUPAC3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C72H48N6/c1-45-37-39-66-56(41-45)57-42-46(2)38-40-67(57)78(66)72-70(76-62-33-17-11-27-52(62)53-28-12-18-34-63(53)76)68(49-43-58(47-21-5-3-6-22-47)73-59(44-49)48-23-7-4-8-24-48)69(75-60-31-15-9-25-50(60)51-26-10-16-32-61(51)75)71(74-72)77-64-35-19-13-29-54(64)55-30-14-20-36-65(55)77/h3-44H,1-2H3
InChIKeyUBKLCNYEPTVFKE-UHFFFAOYSA-N
MW997.22 g/mol
LogP18.48
Rot. Bonds7

About 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole

3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole (PubChem CID 146512463) has the molecular formula C72H48N6 and a molecular weight of 997.22 g/mol. Its IUPAC name is 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
PubChem CID146512463
Molecular FormulaC72H48N6
Molecular Weight997.22 g/mol
Exact Mass996.39
IUPAC Name3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C72H48N6/c1-45-37-39-66-56(41-45)57-42-46(2)38-40-67(57)78(66)72-70(76-62-33-17-11-27-52(62)53-28-12-18-34-63(53)76)68(49-43-58(47-21-5-3-6-22-47)73-59(44-49)48-23-7-4-8-24-48)69(75-60-31-15-9-25-50(60)51-26-10-16-32-61(51)75)71(74-72)77-64-35-19-13-29-54(64)55-30-14-20-36-65(55)77/h3-44H,1-2H3
InChIKeyUBKLCNYEPTVFKE-UHFFFAOYSA-N
XLogP18.48
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.22
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 151484643
3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole
CID 146236385
9-[3,6-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]-3,6-diphenylcarbazole
CID 142508353
9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole
CID 150396921
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146511875
4,6-bis(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[2,5-di(carbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-dimethylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dimethylcarbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 161428756
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
2,6-di(carbazol-9-yl)-4-phenylpyridine-3,5-dicarbonitrile;2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile;2,4,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 159171275
9-[3,5-bis(4,6-diphenylpyrimidin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]-2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazole
CID 137369176
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71286941

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole (CID 146512463) is 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole?
The InChIKey is UBKLCNYEPTVFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N6/c1-45-37-39-66-56(41-45)57-42-46(2)38-40-67(57)78(66)72-70(76-62-33-17-11-27-52(62)53-28-12-18-34-63(53)76)68(49-43-58(47-21-5-3-6-22-47)73-59(44-49)48-23-7-4-8-24-48)69(75-60-31-15-9-25-50(60)51-26-10-16-32-61(51)75)71(74-72)77-64-35-19-13-29-54(64)55-30-14-20-36-65(55)77/h3-44H,1-2H3.
What are the key properties of 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole?
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole has a molecular weight of 997.22 g/mol, XLogP of 18.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 146512463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).