3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole

C76H64N6 — CID 151121692

IUPAC3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(C)nc(C)c2)c1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C76H64N6/c1-41-13-21-63-55(29-41)56-30-42(2)14-22-64(56)79(63)73-71(53-37-49(9)77-50(10)38-53)75(81-67-25-17-45(5)33-59(67)60-34-46(6)18-26-68(60)81)76(82-69-27-19-47(7)35-61(69)62-36-48(8)20-28-70(62)82)72(54-39-51(11)78-52(12)40-54)74(73)80-65-23-15-43(3)31-57(65)58-32-44(4)16-24-66(58)80/h13-40H,1-12H3
InChIKeyMSIASKKDNHXBKS-UHFFFAOYSA-N
MW1061.39 g/mol
LogP19.90
Rot. Bonds6

About 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole

3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole (PubChem CID 151121692) has the molecular formula C76H64N6 and a molecular weight of 1061.39 g/mol. Its IUPAC name is 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole
PubChem CID151121692
Molecular FormulaC76H64N6
Molecular Weight1061.39 g/mol
Exact Mass1060.52
IUPAC Name3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(C)nc(C)c2)c1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C76H64N6/c1-41-13-21-63-55(29-41)56-30-42(2)14-22-64(56)79(63)73-71(53-37-49(9)77-50(10)38-53)75(81-67-25-17-45(5)33-59(67)60-34-46(6)18-26-68(60)81)76(82-69-27-19-47(7)35-61(69)62-36-48(8)20-28-70(62)82)72(54-39-51(11)78-52(12)40-54)74(73)80-65-23-15-43(3)31-57(65)58-32-44(4)16-24-66(58)80/h13-40H,1-12H3
InChIKeyMSIASKKDNHXBKS-UHFFFAOYSA-N
XLogP19.90
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.39
LogP ≤ 519.90
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-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole
CID 139545111
3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 151051040
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-[3,5-bis(3,6-dimethylcarbazol-9-yl)-2,6-diphenyl-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759116
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
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
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
2,3,4,6-tetrakis(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 152950452
2,4,6-tris(4-carbazol-9-ylphenyl)-3,5-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 139441530
9-[3-(1,3-benzoxazol-2-yl)-2,4,5-tris(3,6-dicyanocarbazol-9-yl)-6-(2,6-dimethyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile
CID 150281266
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole (CID 151121692) is 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(C)nc(C)c2)c1-n1c2ccc(C)cc2c2cc(C)ccc21.
What is the InChIKey of 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole?
The InChIKey is MSIASKKDNHXBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H64N6/c1-41-13-21-63-55(29-41)56-30-42(2)14-22-64(56)79(63)73-71(53-37-49(9)77-50(10)38-53)75(81-67-25-17-45(5)33-59(67)60-34-46(6)18-26-68(60)81)76(82-69-27-19-47(7)35-61(69)62-36-48(8)20-28-70(62)82)72(54-39-51(11)78-52(12)40-54)74(73)80-65-23-15-43(3)31-57(65)58-32-44(4)16-24-66(58)80/h13-40H,1-12H3.
What are the key properties of 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole?
3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole has a molecular weight of 1061.39 g/mol, XLogP of 19.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 151121692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).