2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane

C47H41N5 — CID 129099634

IUPAC2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane
SMILESC1=C(c2ccccc2)NC(c2ccccc2)NC1c1ccc(-c2c(C3NC(c4ccccc4)NC(c4ccccc4)N3)ccc3ccccc23)cc1
InChIInChI=1S/C47H41N5/c1-5-16-33(17-6-1)41-31-42(49-44(48-41)36-18-7-2-8-19-36)34-25-27-35(28-26-34)43-39-24-14-13-15-32(39)29-30-40(43)47-51-45(37-20-9-3-10-21-37)50-46(52-47)38-22-11-4-12-23-38/h1-31,42,44-52H
InChIKeyZRRAVRGMPKLPDO-UHFFFAOYSA-N
MW675.88 g/mol
LogP9.66
Rot. Bonds7

About 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane

2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane (PubChem CID 129099634) has the molecular formula C47H41N5 and a molecular weight of 675.88 g/mol. Its IUPAC name is 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane.

Molecular Properties

Compound Name2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane
PubChem CID129099634
Molecular FormulaC47H41N5
Molecular Weight675.88 g/mol
Exact Mass675.34
IUPAC Name2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane
SMILESC1=C(c2ccccc2)NC(c2ccccc2)NC1c1ccc(-c2c(C3NC(c4ccccc4)NC(c4ccccc4)N3)ccc3ccccc23)cc1
InChIInChI=1S/C47H41N5/c1-5-16-33(17-6-1)41-31-42(49-44(48-41)36-18-7-2-8-19-36)34-25-27-35(28-26-34)43-39-24-14-13-15-32(39)29-30-40(43)47-51-45(37-20-9-3-10-21-37)50-46(52-47)38-22-11-4-12-23-38/h1-31,42,44-52H
InChIKeyZRRAVRGMPKLPDO-UHFFFAOYSA-N
XLogP9.66
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 59.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane with MolForge

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Related Compounds

2-[2-(4-naphthalen-1-yl-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazinane
CID 129099180
4-chrysen-2-yl-2-phenyl-6-[4-(7-phenylbenzo[a]anthracen-12-yl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 167250407
2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 129228006
6-benzo[a]anthracen-7-yl-2-phenyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydropyrimidine
CID 167250119
6-benzo[a]anthracen-7-yl-4-chrysen-2-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidine
CID 167250129
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099481
2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 129228010
2-[10-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099099
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
7-[4-[2-(4,6-diphenyl-1,3,5-triazinan-2-yl)naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 129099165
2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane
CID 129099480
2-[1-(4-naphthalen-1-yl-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099479

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane?
The IUPAC name of 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane (CID 129099634) is 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane.
What is the SMILES notation for 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane?
The canonical SMILES for 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane is C1=C(c2ccccc2)NC(c2ccccc2)NC1c1ccc(-c2c(C3NC(c4ccccc4)NC(c4ccccc4)N3)ccc3ccccc23)cc1.
What is the InChIKey of 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane?
The InChIKey is ZRRAVRGMPKLPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N5/c1-5-16-33(17-6-1)41-31-42(49-44(48-41)36-18-7-2-8-19-36)34-25-27-35(28-26-34)43-39-24-14-13-15-32(39)29-30-40(43)47-51-45(37-20-9-3-10-21-37)50-46(52-47)38-22-11-4-12-23-38/h1-31,42,44-52H.
What are the key properties of 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane?
2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane has a molecular weight of 675.88 g/mol, XLogP of 9.66, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane is sourced from PubChem (CID 129099634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).