5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole

C48H31N3 — CID 134603706

IUPAC5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c4)n3)c2)cc1
InChIInChI=1S/C48H31N3/c1-3-12-32(13-4-1)34-18-11-19-39(26-34)45-31-44(33-14-5-2-6-15-33)49-48(50-45)40-23-22-38-28-41(25-24-37(38)27-40)51-46-21-10-9-20-42(46)43-29-35-16-7-8-17-36(35)30-47(43)51/h1-31H
InChIKeyJDAIPYZRISAVEW-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.55
Rot. Bonds5

About 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole

5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole (PubChem CID 134603706) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole
PubChem CID134603706
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c4)n3)c2)cc1
InChIInChI=1S/C48H31N3/c1-3-12-32(13-4-1)34-18-11-19-39(26-34)45-31-44(33-14-5-2-6-15-33)49-48(50-45)40-23-22-38-28-41(25-24-37(38)27-40)51-46-21-10-9-20-42(46)43-29-35-16-7-8-17-36(35)30-47(43)51/h1-31H
InChIKeyJDAIPYZRISAVEW-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 134603626
9-[4-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 58943227
5-[7-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 159513122
3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477089
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
9-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-5-phenylphenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159279604
9-[4-[6-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-phenylpyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 122677057
5-phenyl-11-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole
CID 158156605
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 159640568

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole (CID 134603706) is 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c4)n3)c2)cc1.
What is the InChIKey of 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is JDAIPYZRISAVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-3-12-32(13-4-1)34-18-11-19-39(26-34)45-31-44(33-14-5-2-6-15-33)49-48(50-45)40-23-22-38-28-41(25-24-37(38)27-40)51-46-21-10-9-20-42(46)43-29-35-16-7-8-17-36(35)30-47(43)51/h1-31H.
What are the key properties of 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole?
5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 134603706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).