9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole

C95H71N7 — CID 146511876

IUPAC9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C95H71N7/c1-55-29-37-67-69(45-55)70-46-56(2)30-38-68(70)87(67)88-89(94-96-77(63-21-13-9-14-22-63)53-78(97-94)64-23-15-10-16-24-64)91(100-81-39-31-57(3)47-71(81)72-48-58(4)32-40-82(72)100)93(102-85-43-35-61(7)51-75(85)76-52-62(8)36-44-86(76)102)92(101-83-41-33-59(5)49-73(83)74-50-60(6)34-42-84(74)101)90(88)95-98-79(65-25-17-11-18-26-65)54-80(99-95)66-27-19-12-20-28-66/h9-54,87H,1-8H3
InChIKeyIIPXBIGBJDDKEI-UHFFFAOYSA-N
MW1310.66 g/mol
LogP24.19
Rot. Bonds10

About 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole

9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 146511876) has the molecular formula C95H71N7 and a molecular weight of 1310.66 g/mol. Its IUPAC name is 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID146511876
Molecular FormulaC95H71N7
Molecular Weight1310.66 g/mol
Exact Mass1309.58
IUPAC Name9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C95H71N7/c1-55-29-37-67-69(45-55)70-46-56(2)30-38-68(70)87(67)88-89(94-96-77(63-21-13-9-14-22-63)53-78(97-94)64-23-15-10-16-24-64)91(100-81-39-31-57(3)47-71(81)72-48-58(4)32-40-82(72)100)93(102-85-43-35-61(7)51-75(85)76-52-62(8)36-44-86(76)102)92(101-83-41-33-59(5)49-73(83)74-50-60(6)34-42-84(74)101)90(88)95-98-79(65-25-17-11-18-26-65)54-80(99-95)66-27-19-12-20-28-66/h9-54,87H,1-8H3
InChIKeyIIPXBIGBJDDKEI-UHFFFAOYSA-N
XLogP24.19
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.66
LogP ≤ 524.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 151654422
9-[2-(4,6-diphenylpyrimidin-2-yl)-3,4,5-tris(3-methylcarbazol-9-yl)-6-(6-methyl-2-pyridinyl)phenyl]-3-methylcarbazole
CID 151058896
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
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512116
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-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole
CID 151600659
2-[2,3,4,5-tetrakis(3,6-dimethylcarbazol-9-yl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-benzothiazole
CID 139533364
2,3,4,6-tetrakis(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 152950452
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole
CID 158632518
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole
CID 137369276
9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole
CID 142508102

Frequently Asked Questions

What is the IUPAC name of 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole (CID 146511876) is 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)-c1cc(C)ccc1C2c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is IIPXBIGBJDDKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H71N7/c1-55-29-37-67-69(45-55)70-46-56(2)30-38-68(70)87(67)88-89(94-96-77(63-21-13-9-14-22-63)53-78(97-94)64-23-15-10-16-24-64)91(100-81-39-31-57(3)47-71(81)72-48-58(4)32-40-82(72)100)93(102-85-43-35-61(7)51-75(85)76-52-62(8)36-44-86(76)102)92(101-83-41-33-59(5)49-73(83)74-50-60(6)34-42-84(74)101)90(88)95-98-79(65-25-17-11-18-26-65)54-80(99-95)66-27-19-12-20-28-66/h9-54,87H,1-8H3.
What are the key properties of 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole?
9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 1310.66 g/mol, XLogP of 24.19, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 146511876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).