3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole

C52H35N5 — CID 137123824

IUPAC3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole
SMILESC1=C(n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)N=C(c2ccc(-c3ccccc3)cc2)NC1n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H35N5/c1-2-14-34(15-3-1)35-26-28-36(29-27-35)52-53-50(56-46-23-11-6-18-40(46)41-19-7-12-24-47(41)56)33-51(54-52)57-48-25-13-8-20-42(48)43-32-37(30-31-49(43)57)55-44-21-9-4-16-38(44)39-17-5-10-22-45(39)55/h1-33,50H,(H,53,54)
InChIKeyYQMXJCQSZQVOJK-UHFFFAOYSA-N
MW729.89 g/mol
LogP12.71
Rot. Bonds5

About 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole

3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole (PubChem CID 137123824) has the molecular formula C52H35N5 and a molecular weight of 729.89 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole
PubChem CID137123824
Molecular FormulaC52H35N5
Molecular Weight729.89 g/mol
Exact Mass729.29
IUPAC Name3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole
SMILESC1=C(n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)N=C(c2ccc(-c3ccccc3)cc2)NC1n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H35N5/c1-2-14-34(15-3-1)35-26-28-36(29-27-35)52-53-50(56-46-23-11-6-18-40(46)41-19-7-12-24-47(41)56)33-51(54-52)57-48-25-13-8-20-42(48)43-32-37(30-31-49(43)57)55-44-21-9-4-16-38(44)39-17-5-10-22-45(39)55/h1-33,50H,(H,53,54)
InChIKeyYQMXJCQSZQVOJK-UHFFFAOYSA-N
XLogP12.71
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 ≤ 512.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-di(carbazol-9-yl)-9-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazole
CID 137123827
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146280207
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
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
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-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
CID 136631150
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole (CID 137123824) is 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole is C1=C(n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)N=C(c2ccc(-c3ccccc3)cc2)NC1n1c2ccccc2c2ccccc21.
What is the InChIKey of 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole?
The InChIKey is YQMXJCQSZQVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5/c1-2-14-34(15-3-1)35-26-28-36(29-27-35)52-53-50(56-46-23-11-6-18-40(46)41-19-7-12-24-47(41)56)33-51(54-52)57-48-25-13-8-20-42(48)43-32-37(30-31-49(43)57)55-44-21-9-4-16-38(44)39-17-5-10-22-45(39)55/h1-33,50H,(H,53,54).
What are the key properties of 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole?
3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole has a molecular weight of 729.89 g/mol, XLogP of 12.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]carbazole is sourced from PubChem (CID 137123824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).