9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole

C75H50N6 — CID 137369367

IUPAC9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C75H50N6/c1-49-36-39-71-60(42-49)59-34-20-21-35-68(59)81(71)73-63(67-48-65(53-28-14-5-15-29-53)77-75(79-67)55-32-18-7-19-33-55)45-58(66-47-64(52-26-12-4-13-27-52)76-74(78-66)54-30-16-6-17-31-54)46-72(73)80-69-40-37-56(50-22-8-2-9-23-50)43-61(69)62-44-57(38-41-70(62)80)51-24-10-3-11-25-51/h2-48H,1H3
InChIKeyRIITYSYHKCXJAG-UHFFFAOYSA-N
MW1035.27 g/mol
LogP19.11
Rot. Bonds10

About 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole

9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole (PubChem CID 137369367) has the molecular formula C75H50N6 and a molecular weight of 1035.27 g/mol. Its IUPAC name is 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole
PubChem CID137369367
Molecular FormulaC75H50N6
Molecular Weight1035.27 g/mol
Exact Mass1034.41
IUPAC Name9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C75H50N6/c1-49-36-39-71-60(42-49)59-34-20-21-35-68(59)81(71)73-63(67-48-65(53-28-14-5-15-29-53)77-75(79-67)55-32-18-7-19-33-55)45-58(66-47-64(52-26-12-4-13-27-52)76-74(78-66)54-30-16-6-17-31-54)46-72(73)80-69-40-37-56(50-22-8-2-9-23-50)43-61(69)62-44-57(38-41-70(62)80)51-24-10-3-11-25-51/h2-48H,1H3
InChIKeyRIITYSYHKCXJAG-UHFFFAOYSA-N
XLogP19.11
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.27
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole
CID 137369326
9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole
CID 137369013
9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole
CID 142508209
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 158497325
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
3-(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 137414549
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole
CID 158632518
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159949401

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole (CID 137369367) is 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is RIITYSYHKCXJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N6/c1-49-36-39-71-60(42-49)59-34-20-21-35-68(59)81(71)73-63(67-48-65(53-28-14-5-15-29-53)77-75(79-67)55-32-18-7-19-33-55)45-58(66-47-64(52-26-12-4-13-27-52)76-74(78-66)54-30-16-6-17-31-54)46-72(73)80-69-40-37-56(50-22-8-2-9-23-50)43-61(69)62-44-57(38-41-70(62)80)51-24-10-3-11-25-51/h2-48H,1H3.
What are the key properties of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole?
9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 1035.27 g/mol, XLogP of 19.11, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 137369367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).