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

C40H29N3 — CID 144680701

IUPAC9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
SMILESC1=C(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C40H29N3/c1-3-11-30(12-4-1)36-27-37(42-40(41-36)32-13-5-2-6-14-32)31-21-19-28(20-22-31)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43/h1-27,40,42H
InChIKeyWNRASEDNHHVDAP-UHFFFAOYSA-N
MW551.69 g/mol
LogP9.58
Rot. Bonds5

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

9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole (PubChem CID 144680701) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
PubChem CID144680701
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
SMILESC1=C(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C40H29N3/c1-3-11-30(12-4-1)36-27-37(42-40(41-36)32-13-5-2-6-14-32)31-21-19-28(20-22-31)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43/h1-27,40,42H
InChIKeyWNRASEDNHHVDAP-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-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 164968420
2-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 163851529
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
16-[4-[3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 121442241
6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228142
9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
CID 139556148
12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 166650856
12-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9,10-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 129200006
2-(5a,9a-dihydrodibenzothiophen-4-yl)-9-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]carbazole
CID 146532112
9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257395

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole (CID 144680701) is 9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole is C1=C(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)NC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole?
The InChIKey is WNRASEDNHHVDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-3-11-30(12-4-1)36-27-37(42-40(41-36)32-13-5-2-6-14-32)31-21-19-28(20-22-31)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43/h1-27,40,42H.
What are the key properties of 9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole?
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-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-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 144680701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).