buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline

C70H60N4 — CID 144856646

IUPACbuta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline
SMILESC/C=C\C.C=CC=C.c1ccc(-c2cc(-c3ccccc3)cc(C3N=C(c4ccc(C5Nc6ccccc6C(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)N5)c5ccccc45)Nc4ccccc43)c2)cc1
InChIInChI=1S/C62H46N4.C4H8.C4H6/c1-5-19-41(20-6-1)45-35-46(42-21-7-2-8-22-42)38-49(37-45)59-55-29-15-17-31-57(55)63-61(65-59)53-33-34-54(52-28-14-13-27-51(52)53)62-64-58-32-18-16-30-56(58)60(66-62)50-39-47(43-23-9-3-10-24-43)36-48(40-50)44-25-11-4-12-26-44;2*1-3-4-2/h1-40,59-61,63,65H,(H,64,66);3-4H,1-2H3;3-4H,1-2H2/b;4-3-;
InChIKeyAAKYMRBGRXFCMU-LWFKIUJUSA-N
MW957.28 g/mol
LogP18.21
Rot. Bonds9

About buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline

buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline (PubChem CID 144856646) has the molecular formula C70H60N4 and a molecular weight of 957.28 g/mol. Its IUPAC name is buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline.

Molecular Properties

Compound Namebuta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline
PubChem CID144856646
Molecular FormulaC70H60N4
Molecular Weight957.28 g/mol
Exact Mass956.48
IUPAC Namebuta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline
SMILESC/C=C\C.C=CC=C.c1ccc(-c2cc(-c3ccccc3)cc(C3N=C(c4ccc(C5Nc6ccccc6C(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)N5)c5ccccc45)Nc4ccccc43)c2)cc1
InChIInChI=1S/C62H46N4.C4H8.C4H6/c1-5-19-41(20-6-1)45-35-46(42-21-7-2-8-22-42)38-49(37-45)59-55-29-15-17-31-57(55)63-61(65-59)53-33-34-54(52-28-14-13-27-51(52)53)62-64-58-32-18-16-30-56(58)60(66-62)50-39-47(43-23-9-3-10-24-43)36-48(40-50)44-25-11-4-12-26-44;2*1-3-4-2/h1-40,59-61,63,65H,(H,64,66);3-4H,1-2H3;3-4H,1-2H2/b;4-3-;
InChIKeyAAKYMRBGRXFCMU-LWFKIUJUSA-N
XLogP18.21
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.28
LogP ≤ 518.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline with MolForge

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Related Compounds

buta-1,3-diene;4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl]-1,2,3,4-tetrahydroquinazoline
CID 144856519
2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline
CID 166908714
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]
CID 134303840
2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline
CID 166908910
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
15,15-dimethyl-12-[4-[4-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 129071027
buta-1,3-diene;ethane;9-[3-[(2-methylphenyl)methyl]phenyl]phenanthrene;(6Z)-5-methyl-6-propylidenecyclohexa-1,3-diene;[3-[3-[4-(3-phenanthren-9-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl]phenyl]methanediamine
CID 144856597
7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
CID 129099191
N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine
CID 156564255
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
3-[2-[3-[(3-phenyldibenzofuran-2-yl)amino]phenyl]-1,4-dihydroquinazolin-4-yl]benzonitrile
CID 118534237

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline?
The IUPAC name of buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline (CID 144856646) is buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline.
What is the SMILES notation for buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline?
The canonical SMILES for buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline is C/C=C\C.C=CC=C.c1ccc(-c2cc(-c3ccccc3)cc(C3N=C(c4ccc(C5Nc6ccccc6C(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)N5)c5ccccc45)Nc4ccccc43)c2)cc1.
What is the InChIKey of buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline?
The InChIKey is AAKYMRBGRXFCMU-LWFKIUJUSA-N. The full InChI is InChI=1S/C62H46N4.C4H8.C4H6/c1-5-19-41(20-6-1)45-35-46(42-21-7-2-8-22-42)38-49(37-45)59-55-29-15-17-31-57(55)63-61(65-59)53-33-34-54(52-28-14-13-27-51(52)53)62-64-58-32-18-16-30-56(58)60(66-62)50-39-47(43-23-9-3-10-24-43)36-48(40-50)44-25-11-4-12-26-44;2*1-3-4-2/h1-40,59-61,63,65H,(H,64,66);3-4H,1-2H3;3-4H,1-2H2/b;4-3-;.
What are the key properties of buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline?
buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline has a molecular weight of 957.28 g/mol, XLogP of 18.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;(Z)-but-2-ene;4-(3,5-diphenylphenyl)-2-[4-[4-(3,5-diphenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]naphthalen-1-yl]-1,4-dihydroquinazoline is sourced from PubChem (CID 144856646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).