3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole

C52H35N5 — CID 137123827

IUPAC3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole
SMILESC1=C(c2ccccc2)N=C(c2ccccc2)NC1n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C52H35N5/c1-3-15-34(16-4-1)44-33-51(54-52(53-44)35-17-5-2-6-18-35)57-49-29-27-36(55-45-23-11-7-19-38(45)39-20-8-12-24-46(39)55)31-42(49)43-32-37(28-30-50(43)57)56-47-25-13-9-21-40(47)41-22-10-14-26-48(41)56/h1-33,51H,(H,53,54)
InChIKeyWGASPCAESPINPY-UHFFFAOYSA-N
MW729.89 g/mol
LogP12.58
Rot. Bonds5

About 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole

3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole (PubChem CID 137123827) has the molecular formula C52H35N5 and a molecular weight of 729.89 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole
PubChem CID137123827
Molecular FormulaC52H35N5
Molecular Weight729.89 g/mol
Exact Mass729.29
IUPAC Name3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole
SMILESC1=C(c2ccccc2)N=C(c2ccccc2)NC1n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C52H35N5/c1-3-15-34(16-4-1)44-33-51(54-52(53-44)35-17-5-2-6-18-35)57-49-29-27-36(55-45-23-11-7-19-38(45)39-20-8-12-24-46(39)55)31-42(49)43-32-37(28-30-50(43)57)56-47-25-13-9-21-40(47)41-22-10-14-26-48(41)56/h1-33,51H,(H,53,54)
InChIKeyWGASPCAESPINPY-UHFFFAOYSA-N
XLogP12.58
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.89
LogP ≤ 512.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole
CID 137123824
3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146280207
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
10-[4-[4-(2,6-diphenyl-1,6-dihydropyrimidin-4-yl)phenyl]phenyl]-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 163455367
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
7-[4-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]-3-phenanthren-2-ylbenzo[c]carbazole
CID 137214905
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole (CID 137123827) is 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole is C1=C(c2ccccc2)N=C(c2ccccc2)NC1n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole?
The InChIKey is WGASPCAESPINPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5/c1-3-15-34(16-4-1)44-33-51(54-52(53-44)35-17-5-2-6-18-35)57-49-29-27-36(55-45-23-11-7-19-38(45)39-20-8-12-24-46(39)55)31-42(49)43-32-37(28-30-50(43)57)56-47-25-13-9-21-40(47)41-22-10-14-26-48(41)56/h1-33,51H,(H,53,54).
What are the key properties of 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole?
3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole has a molecular weight of 729.89 g/mol, XLogP of 12.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole is sourced from PubChem (CID 137123827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).