9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole

C46H31N3 — CID 139335308

IUPAC9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4cc5c(cc4c3)Cc3ccc(-n4c6ccccc6c6ccccc64)cc3C5)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3/c1-3-11-30(12-4-1)42-29-43(48-46(47-42)31-13-5-2-6-14-31)34-20-19-32-23-37-27-38-28-39(22-21-33(38)24-36(37)26-35(32)25-34)49-44-17-9-7-15-40(44)41-16-8-10-18-45(41)49/h1-23,25-26,28-29H,24,27H2
InChIKeyJBTMYLZKRAXBOB-UHFFFAOYSA-N
MW625.78 g/mol
LogP11.22
Rot. Bonds4

About 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole

9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole (PubChem CID 139335308) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
PubChem CID139335308
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4cc5c(cc4c3)Cc3ccc(-n4c6ccccc6c6ccccc64)cc3C5)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3/c1-3-11-30(12-4-1)42-29-43(48-46(47-42)31-13-5-2-6-14-31)34-20-19-32-23-37-27-38-28-39(22-21-33(38)24-36(37)26-35(32)25-34)49-44-17-9-7-15-40(44)41-16-8-10-18-45(41)49/h1-23,25-26,28-29H,24,27H2
InChIKeyJBTMYLZKRAXBOB-UHFFFAOYSA-N
XLogP11.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
CID 139335220
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
CID 139335327
3,6-di(carbazol-9-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335356
9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
CID 139329534
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
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
9-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258073
5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 134603626
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
7-phenyl-5-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indolo[2,3-b]carbazole
CID 161361599
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019

Frequently Asked Questions

What is the IUPAC name of 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole?
The IUPAC name of 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole (CID 139335308) is 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole.
What is the SMILES notation for 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole?
The canonical SMILES for 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole is c1ccc(-c2cc(-c3ccc4cc5c(cc4c3)Cc3ccc(-n4c6ccccc6c6ccccc64)cc3C5)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole?
The InChIKey is JBTMYLZKRAXBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-3-11-30(12-4-1)42-29-43(48-46(47-42)31-13-5-2-6-14-31)34-20-19-32-23-37-27-38-28-39(22-21-33(38)24-36(37)26-35(32)25-34)49-44-17-9-7-15-40(44)41-16-8-10-18-45(41)49/h1-23,25-26,28-29H,24,27H2.
What are the key properties of 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole?
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole has a molecular weight of 625.78 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole is sourced from PubChem (CID 139335308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).