4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine

C61H44N2 — CID 170412044

IUPAC4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine
SMILESC1=CCC2C(=C1)C1(c3cc(C4C=CC(C5N=C(c6ccccc6)C=C(c6ccccc6)N5)=C5C=CC=CC54)ccc3-c3c1cc1ccccc1c3-c1ccccc1)c1ccccc12
InChIInChI=1S/C61H44N2/c1-4-18-39(19-5-1)56-38-57(40-20-6-2-7-21-40)63-60(62-56)50-35-34-44(46-26-12-13-27-47(46)50)43-32-33-51-54(36-43)61(52-30-16-14-28-48(52)49-29-15-17-31-53(49)61)55-37-42-24-10-11-25-45(42)58(59(51)55)41-22-8-3-9-23-41/h1-28,30-38,44,46,49,60,62H,29H2
InChIKeyUXONIGAXWHLSHY-UHFFFAOYSA-N
MW805.04 g/mol
LogP13.96
Rot. Bonds5

About 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine

4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine (PubChem CID 170412044) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine
PubChem CID170412044
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC Name4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine
SMILESC1=CCC2C(=C1)C1(c3cc(C4C=CC(C5N=C(c6ccccc6)C=C(c6ccccc6)N5)=C5C=CC=CC54)ccc3-c3c1cc1ccccc1c3-c1ccccc1)c1ccccc12
InChIInChI=1S/C61H44N2/c1-4-18-39(19-5-1)56-38-57(40-20-6-2-7-21-40)63-60(62-56)50-35-34-44(46-26-12-13-27-47(46)50)43-32-33-51-54(36-43)61(52-30-16-14-28-48(52)49-29-15-17-31-53(49)61)55-37-42-24-10-11-25-45(42)58(59(51)55)41-22-8-3-9-23-41/h1-28,30-38,44,46,49,60,62H,29H2
InChIKeyUXONIGAXWHLSHY-UHFFFAOYSA-N
XLogP13.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 513.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine with MolForge

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Related Compounds

2-[4-[11,11-dimethyl-5-(4-phenylcyclohexa-1,3-dien-1-yl)benzo[b]fluoren-2-yl]phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 170411146
spiro[4,4a-dihydrofluorene-9,9'-fluorene]
CID 154012789
7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene
CID 171044967
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine
CID 134442782
4,6-diphenyl-2-(4-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]-18-ylphenyl)-1,2-dihydropyrimidine
CID 134305269
10-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]spiro[acridine-9,11'-benzo[b]fluorene]
CID 134303834
2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 170412039
11-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-11,11-dimethylbenzo[a]fluoren-6-yl]benzo[a]carbazole
CID 170411403
2-[3-anthracen-9-yl-5-(1,2-dihydropyridin-6-yl)phenyl]-6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2-dihydropyrimidine
CID 118363119
2-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-pyren-4-ylphenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 118363115
spiro[4,4a-dihydrofluorene-9,9'-xanthene]
CID 155576891

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine (CID 170412044) is 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine is C1=CCC2C(=C1)C1(c3cc(C4C=CC(C5N=C(c6ccccc6)C=C(c6ccccc6)N5)=C5C=CC=CC54)ccc3-c3c1cc1ccccc1c3-c1ccccc1)c1ccccc12.
What is the InChIKey of 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine?
The InChIKey is UXONIGAXWHLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-4-18-39(19-5-1)56-38-57(40-20-6-2-7-21-40)63-60(62-56)50-35-34-44(46-26-12-13-27-47(46)50)43-32-33-51-54(36-43)61(52-30-16-14-28-48(52)49-29-15-17-31-53(49)61)55-37-42-24-10-11-25-45(42)58(59(51)55)41-22-8-3-9-23-41/h1-28,30-38,44,46,49,60,62H,29H2.
What are the key properties of 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine?
4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine has a molecular weight of 805.04 g/mol, XLogP of 13.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-(5'-phenylspiro[4,4a-dihydrofluorene-9,11'-benzo[b]fluorene]-2'-yl)-4,4a-dihydronaphthalen-1-yl]-1,2-dihydropyrimidine is sourced from PubChem (CID 170412044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).