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

C40H29N3 — CID 123838452

IUPAC9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)=NC1c1ccccc1
InChIInChI=1S/C40H29N3/c1-3-12-29(13-4-1)36-27-37(30-14-5-2-6-15-30)42-40(41-36)32-17-11-16-31(26-32)28-22-24-33(25-23-28)43-38-20-9-7-18-34(38)35-19-8-10-21-39(35)43/h1-27,36H,(H,41,42)
InChIKeyGWTHWJXMFOBVMV-UHFFFAOYSA-N
MW551.69 g/mol
LogP9.58
Rot. Bonds5

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

9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole (PubChem CID 123838452) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
PubChem CID123838452
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)=NC1c1ccccc1
InChIInChI=1S/C40H29N3/c1-3-12-29(13-4-1)36-27-37(30-14-5-2-6-15-30)42-40(41-36)32-17-11-16-31(26-32)28-22-24-33(25-23-28)43-38-20-9-7-18-34(38)35-19-8-10-21-39(35)43/h1-27,36H,(H,41,42)
InChIKeyGWTHWJXMFOBVMV-UHFFFAOYSA-N
XLogP9.58
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425
9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
CID 168812688
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-[4-[6-(3-carbazol-9-ylphenyl)-2-phenyl-1,4-dihydropyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 163798768
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
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
2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
CID 163983401
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
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
3-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)carbazol-3-yl]-9-pyridin-4-ylcarbazole
CID 121420530

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole (CID 123838452) is 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole is C1=C(c2ccccc2)NC(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)=NC1c1ccccc1.
What is the InChIKey of 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is GWTHWJXMFOBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-3-12-29(13-4-1)36-27-37(30-14-5-2-6-15-30)42-40(41-36)32-17-11-16-31(26-32)28-22-24-33(25-23-28)43-38-20-9-7-18-34(38)35-19-8-10-21-39(35)43/h1-27,36H,(H,41,42).
What are the key properties of 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole?
9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 551.69 g/mol, XLogP of 9.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 123838452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).