9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole

C70H47N3 — CID 169056002

IUPAC9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)cccc6c6cccc(-c7ccccc7)c65)c(-c5ccccc5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C70H47N3/c1-7-21-48(22-8-1)50-37-41-56(42-38-50)65-47-66(72-70(71-65)57-43-39-51(40-44-57)49-23-9-2-10-24-49)58-45-63(54-29-15-5-16-30-54)69(64(46-58)55-31-17-6-18-32-55)73-67-59(52-25-11-3-12-26-52)33-19-35-61(67)62-36-20-34-60(68(62)73)53-27-13-4-14-28-53/h1-47H
InChIKeyCHPBVXYBBVRHKO-UHFFFAOYSA-N
MW930.17 g/mol
LogP18.58
Rot. Bonds10

About 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole

9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole (PubChem CID 169056002) has the molecular formula C70H47N3 and a molecular weight of 930.17 g/mol. Its IUPAC name is 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
PubChem CID169056002
Molecular FormulaC70H47N3
Molecular Weight930.17 g/mol
Exact Mass929.38
IUPAC Name9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)cccc6c6cccc(-c7ccccc7)c65)c(-c5ccccc5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C70H47N3/c1-7-21-48(22-8-1)50-37-41-56(42-38-50)65-47-66(72-70(71-65)57-43-39-51(40-44-57)49-23-9-2-10-24-49)58-45-63(54-29-15-5-16-30-54)69(64(46-58)55-31-17-6-18-32-55)73-67-59(52-25-11-3-12-26-52)33-19-35-61(67)62-36-20-34-60(68(62)73)53-27-13-4-14-28-53/h1-47H
InChIKeyCHPBVXYBBVRHKO-UHFFFAOYSA-N
XLogP18.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.17
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 146281025
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
CID 146281289
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 169056298
3,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723872
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole
CID 153301126
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
9-[2-(4-tert-butylphenyl)-6-phenyl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,6-diphenylcarbazole
CID 146281192

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole?
The IUPAC name of 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole (CID 169056002) is 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole.
What is the SMILES notation for 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole?
The canonical SMILES for 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)cccc6c6cccc(-c7ccccc7)c65)c(-c5ccccc5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole?
The InChIKey is CHPBVXYBBVRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3/c1-7-21-48(22-8-1)50-37-41-56(42-38-50)65-47-66(72-70(71-65)57-43-39-51(40-44-57)49-23-9-2-10-24-49)58-45-63(54-29-15-5-16-30-54)69(64(46-58)55-31-17-6-18-32-55)73-67-59(52-25-11-3-12-26-52)33-19-35-61(67)62-36-20-34-60(68(62)73)53-27-13-4-14-28-53/h1-47H.
What are the key properties of 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole?
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole has a molecular weight of 930.17 g/mol, XLogP of 18.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole is sourced from PubChem (CID 169056002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).