2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine

C48H34N2O — CID 156553548

IUPAC2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2)NC1c1cc(-c2ccc(-c3ccccc3)c3ccccc23)cc2oc3c4ccccc4ccc3c12
InChIInChI=1S/C48H34N2O/c1-4-14-31(15-5-1)36-26-27-37(40-23-13-12-22-39(36)40)35-28-42(46-41-25-24-32-16-10-11-21-38(32)47(41)51-45(46)29-35)44-30-43(33-17-6-2-7-18-33)49-48(50-44)34-19-8-3-9-20-34/h1-30,44,48-50H
InChIKeyKUUGVCVFKVVYMB-UHFFFAOYSA-N
MW654.81 g/mol
LogP12.20
Rot. Bonds5

About 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine

2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine (PubChem CID 156553548) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine
PubChem CID156553548
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC Name2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2)NC1c1cc(-c2ccc(-c3ccccc3)c3ccccc23)cc2oc3c4ccccc4ccc3c12
InChIInChI=1S/C48H34N2O/c1-4-14-31(15-5-1)36-26-27-37(40-23-13-12-22-39(36)40)35-28-42(46-41-25-24-32-16-10-11-21-38(32)47(41)51-45(46)29-35)44-30-43(33-17-6-2-7-18-33)49-48(50-44)34-19-8-3-9-20-34/h1-30,44,48-50H
InChIKeyKUUGVCVFKVVYMB-UHFFFAOYSA-N
XLogP12.20
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 512.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydropyrimidine
CID 90274181
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
6-(4-benzo[a]anthracen-4-ylphenyl)-4-dibenzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydropyrimidine
CID 167249702
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
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
2-(4-naphthalen-1-ylphenyl)-6-phenyl-4-(9-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,4-dihydro-1,3,5-triazine
CID 166975785
4-chrysen-2-yl-2-phenyl-6-[4-(7-phenylbenzo[a]anthracen-12-yl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 167250407
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
9-(4-naphthalen-1-ylphenyl)-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940142
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
6-(2-benzo[a]anthracen-7-ylphenyl)-4-phenanthren-4-yl-2-phenyl-1,2,3,4-tetrahydropyrimidine
CID 167250394
8-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170374689

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine (CID 156553548) is 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine is C1=C(c2ccccc2)NC(c2ccccc2)NC1c1cc(-c2ccc(-c3ccccc3)c3ccccc23)cc2oc3c4ccccc4ccc3c12.
What is the InChIKey of 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine?
The InChIKey is KUUGVCVFKVVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-4-14-31(15-5-1)36-26-27-37(40-23-13-12-22-39(36)40)35-28-42(46-41-25-24-32-16-10-11-21-38(32)47(41)51-45(46)29-35)44-30-43(33-17-6-2-7-18-33)49-48(50-44)34-19-8-3-9-20-34/h1-30,44,48-50H.
What are the key properties of 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine?
2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine has a molecular weight of 654.81 g/mol, XLogP of 12.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-yl]-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 156553548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).