9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole

C39H32N4 — CID 121466919

IUPAC9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole
SMILESC1=CC(c2ccc(C3=CC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)NC(c4ccccc4)N3)cc2)=CCN1
InChIInChI=1S/C39H32N4/c1-2-8-31(9-3-1)39-41-35(29-16-14-27(15-17-29)28-22-24-40-25-23-28)26-36(42-39)30-18-20-32(21-19-30)43-37-12-6-4-10-33(37)34-11-5-7-13-38(34)43/h1-24,26,36,39-42H,25H2
InChIKeyDUWVORPTINCSRE-UHFFFAOYSA-N
MW556.71 g/mol
LogP8.26
Rot. Bonds5

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

9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole (PubChem CID 121466919) has the molecular formula C39H32N4 and a molecular weight of 556.71 g/mol. Its IUPAC name is 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole
PubChem CID121466919
Molecular FormulaC39H32N4
Molecular Weight556.71 g/mol
Exact Mass556.26
IUPAC Name9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole
SMILESC1=CC(c2ccc(C3=CC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)NC(c4ccccc4)N3)cc2)=CCN1
InChIInChI=1S/C39H32N4/c1-2-8-31(9-3-1)39-41-35(29-16-14-27(15-17-29)28-22-24-40-25-23-28)26-36(42-39)30-18-20-32(21-19-30)43-37-12-6-4-10-33(37)34-11-5-7-13-38(34)43/h1-24,26,36,39-42H,25H2
InChIKeyDUWVORPTINCSRE-UHFFFAOYSA-N
XLogP8.26
TPSA41.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 58.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-6-pyridin-4-yl-1,2,3,4-tetrahydropyrimidin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228086
3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 145299536
3-[4-[6-[4-(1,2-dihydropyridin-5-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
CID 121466976
2-dibenzofuran-4-yl-9-[4-[6-[4-(1,2-dihydropyridin-5-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole
CID 121466987
(13S)-8-[4-[2-(1,2-dihydropyridin-4-yl)-6-(4-pyridin-4-ylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-13-phenyl-14-oxa-8-azatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene
CID 118228021
6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole
CID 118228052
12-[4-(6-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145156400
9-phenyl-19-[4-[6-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280624
5-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-15-phenyl-18-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677982
4-phenyl-3-[4-[4-[2-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-6-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene
CID 129268886
6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
CID 134390813
5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 145218371

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole (CID 121466919) is 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole is C1=CC(c2ccc(C3=CC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)NC(c4ccccc4)N3)cc2)=CCN1.
What is the InChIKey of 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole?
The InChIKey is DUWVORPTINCSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N4/c1-2-8-31(9-3-1)39-41-35(29-16-14-27(15-17-29)28-22-24-40-25-23-28)26-36(42-39)30-18-20-32(21-19-30)43-37-12-6-4-10-33(37)34-11-5-7-13-38(34)43/h1-24,26,36,39-42H,25H2.
What are the key properties of 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole?
9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole has a molecular weight of 556.71 g/mol, XLogP of 8.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 121466919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).