2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]

C73H51N3 — CID 134305246

IUPAC2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]
SMILESC1=CC2c3cc(-c4cccc(-c5cccc(C6=NC(c7ccccc7)NC(c7ccc(-c8ccccc8)cc7)=C6)c5)c4)ccc3C3(c4cc5ccccc5cc4N(c4ccccc4)c4cc5ccccc5cc43)C2C=C1
InChIInChI=1S/C73H51N3/c1-4-18-48(19-5-1)49-34-36-50(37-35-49)68-47-69(75-72(74-68)51-20-6-2-7-21-51)60-29-17-28-54(41-60)52-26-16-27-53(40-52)59-38-39-65-63(42-59)62-32-14-15-33-64(62)73(65)66-43-55-22-10-12-24-57(55)45-70(66)76(61-30-8-3-9-31-61)71-46-58-25-13-11-23-56(58)44-67(71)73/h1-47,62,64,72,74H
InChIKeyQIKCPNRKRIHUIV-UHFFFAOYSA-N
MW970.23 g/mol
LogP18.08
Rot. Bonds7

About 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]

2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene] (PubChem CID 134305246) has the molecular formula C73H51N3 and a molecular weight of 970.23 g/mol. Its IUPAC name is 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene].

Molecular Properties

Compound Name2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]
PubChem CID134305246
Molecular FormulaC73H51N3
Molecular Weight970.23 g/mol
Exact Mass969.41
IUPAC Name2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]
SMILESC1=CC2c3cc(-c4cccc(-c5cccc(C6=NC(c7ccccc7)NC(c7ccc(-c8ccccc8)cc7)=C6)c5)c4)ccc3C3(c4cc5ccccc5cc4N(c4ccccc4)c4cc5ccccc5cc43)C2C=C1
InChIInChI=1S/C73H51N3/c1-4-18-48(19-5-1)49-34-36-50(37-35-49)68-47-69(75-72(74-68)51-20-6-2-7-21-51)60-29-17-28-54(41-60)52-26-16-27-53(40-52)59-38-39-65-63(42-59)62-32-14-15-33-64(62)73(65)66-43-55-22-10-12-24-57(55)45-70(66)76(61-30-8-3-9-31-61)71-46-58-25-13-11-23-56(58)44-67(71)73/h1-47,62,64,72,74H
InChIKeyQIKCPNRKRIHUIV-UHFFFAOYSA-N
XLogP18.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.23
LogP ≤ 518.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene] with MolForge

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Related Compounds

2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263708
10-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]spiro[acridine-9,11'-benzo[b]fluorene]
CID 134303834
10-phenyl-2'-[3-[2-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidin-6-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263445
4-(3-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)-1,2-dihydropyrimidine
CID 145302608
2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine
CID 142324617
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578
12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine
CID 155484351
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
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
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine
CID 137302868

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]?
The IUPAC name of 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene] (CID 134305246) is 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene].
What is the SMILES notation for 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]?
The canonical SMILES for 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene] is C1=CC2c3cc(-c4cccc(-c5cccc(C6=NC(c7ccccc7)NC(c7ccc(-c8ccccc8)cc7)=C6)c5)c4)ccc3C3(c4cc5ccccc5cc4N(c4ccccc4)c4cc5ccccc5cc43)C2C=C1.
What is the InChIKey of 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]?
The InChIKey is QIKCPNRKRIHUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N3/c1-4-18-48(19-5-1)49-34-36-50(37-35-49)68-47-69(75-72(74-68)51-20-6-2-7-21-51)60-29-17-28-54(41-60)52-26-16-27-53(40-52)59-38-39-65-63(42-59)62-32-14-15-33-64(62)73(65)66-43-55-22-10-12-24-57(55)45-70(66)76(61-30-8-3-9-31-61)71-46-58-25-13-11-23-56(58)44-67(71)73/h1-47,62,64,72,74H.
What are the key properties of 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene]?
2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene] has a molecular weight of 970.23 g/mol, XLogP of 18.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6'-[3-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-4a,9a-dihydrofluorene] is sourced from PubChem (CID 134305246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).