9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole

C46H33N3 — CID 123211425

IUPAC9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
SMILESC1=C(c2ccccc2)NC(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)=NC1c1ccccc1
InChIInChI=1S/C46H33N3/c1-3-12-34(13-4-1)42-31-43(35-14-5-2-6-15-35)48-46(47-42)36-24-22-32(23-25-36)37-16-11-17-38(30-37)33-26-28-39(29-27-33)49-44-20-9-7-18-40(44)41-19-8-10-21-45(41)49/h1-31,42H,(H,47,48)
InChIKeyPCLUGVRDEJBXAQ-UHFFFAOYSA-N
MW627.79 g/mol
LogP11.25
Rot. Bonds6

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

9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole (PubChem CID 123211425) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
PubChem CID123211425
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
SMILESC1=C(c2ccccc2)NC(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)=NC1c1ccccc1
InChIInChI=1S/C46H33N3/c1-3-12-34(13-4-1)42-31-43(35-14-5-2-6-15-35)48-46(47-42)36-24-22-32(23-25-36)37-16-11-17-38(30-37)33-26-28-39(29-27-33)49-44-20-9-7-18-40(44)41-19-8-10-21-45(41)49/h1-31,42H,(H,47,48)
InChIKeyPCLUGVRDEJBXAQ-UHFFFAOYSA-N
XLogP11.25
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 511.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
CID 123838452
9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
CID 168812688
3-[4-[6-(3-carbazol-9-ylphenyl)-2-phenyl-1,4-dihydropyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 163798768
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
3-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)carbazol-3-yl]-9-pyridin-4-ylcarbazole
CID 121420530
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
9-[3-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene
CID 129305340
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole (CID 123211425) is 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole is C1=C(c2ccccc2)NC(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)=NC1c1ccccc1.
What is the InChIKey of 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is PCLUGVRDEJBXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-3-12-34(13-4-1)42-31-43(35-14-5-2-6-15-35)48-46(47-42)36-24-22-32(23-25-36)37-16-11-17-38(30-37)33-26-28-39(29-27-33)49-44-20-9-7-18-40(44)41-19-8-10-21-45(41)49/h1-31,42H,(H,47,48).
What are the key properties of 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole?
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 627.79 g/mol, XLogP of 11.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 123211425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).