3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole

C100H64N6 — CID 134237041

IUPAC3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccccc%10)ccc9-c9ccccc9)ccc87)n6)c5)ccc43)c2)cc1
InChIInChI=1S/C100H64N6/c1-6-25-65(26-7-1)74-45-51-78(67-29-10-3-11-30-67)98(62-74)104-91-42-21-17-38-81(91)85-59-71(48-54-95(85)104)70-47-53-94-84(58-70)80-37-16-20-41-90(80)103(94)77-36-24-35-76(57-77)89-64-88(69-33-14-5-15-34-69)101-100(102-89)106-93-44-23-19-40-83(93)87-61-73(50-56-97(87)106)72-49-55-96-86(60-72)82-39-18-22-43-92(82)105(96)99-63-75(66-27-8-2-9-28-66)46-52-79(99)68-31-12-4-13-32-68/h1-64H
InChIKeyKNCCKOWNUVSLJI-UHFFFAOYSA-N
MW1349.65 g/mol
LogP26.20
Rot. Bonds12

About 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole

3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole (PubChem CID 134237041) has the molecular formula C100H64N6 and a molecular weight of 1349.65 g/mol. Its IUPAC name is 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
PubChem CID134237041
Molecular FormulaC100H64N6
Molecular Weight1349.65 g/mol
Exact Mass1348.52
IUPAC Name3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccccc%10)ccc9-c9ccccc9)ccc87)n6)c5)ccc43)c2)cc1
InChIInChI=1S/C100H64N6/c1-6-25-65(26-7-1)74-45-51-78(67-29-10-3-11-30-67)98(62-74)104-91-42-21-17-38-81(91)85-59-71(48-54-95(85)104)70-47-53-94-84(58-70)80-37-16-20-41-90(80)103(94)77-36-24-35-76(57-77)89-64-88(69-33-14-5-15-34-69)101-100(102-89)106-93-44-23-19-40-83(93)87-61-73(50-56-97(87)106)72-49-55-96-86(60-72)82-39-18-22-43-92(82)105(96)99-63-75(66-27-8-2-9-28-66)46-52-79(99)68-31-12-4-13-32-68/h1-64H
InChIKeyKNCCKOWNUVSLJI-UHFFFAOYSA-N
XLogP26.20
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.65
LogP ≤ 526.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole with MolForge

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Related Compounds

3-[9-[4-[2,5-bis(4-phenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134237067
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 144573716
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
3-[9-[4-[3-(3,4-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134236674
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815
9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 159652525
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole?
The IUPAC name of 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole (CID 134237041) is 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole.
What is the SMILES notation for 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole?
The canonical SMILES for 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole is c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccccc%10)ccc9-c9ccccc9)ccc87)n6)c5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole?
The InChIKey is KNCCKOWNUVSLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H64N6/c1-6-25-65(26-7-1)74-45-51-78(67-29-10-3-11-30-67)98(62-74)104-91-42-21-17-38-81(91)85-59-71(48-54-95(85)104)70-47-53-94-84(58-70)80-37-16-20-41-90(80)103(94)77-36-24-35-76(57-77)89-64-88(69-33-14-5-15-34-69)101-100(102-89)106-93-44-23-19-40-83(93)87-61-73(50-56-97(87)106)72-49-55-96-86(60-72)82-39-18-22-43-92(82)105(96)99-63-75(66-27-8-2-9-28-66)46-52-79(99)68-31-12-4-13-32-68/h1-64H.
What are the key properties of 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole?
3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole has a molecular weight of 1349.65 g/mol, XLogP of 26.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole is sourced from PubChem (CID 134237041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).