3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane

C73H54N4O — CID 144605525

IUPAC3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane
SMILESC=Cc1c(CC)oc2ccc3c(c12)-c1ccccc1C31c2ccccc2N(c2cccc(-c3ccccc3)c2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.CC
InChIInChI=1S/C71H48N4O.C2H6/c1-3-52-66(4-2)76-67-40-38-59-68(69(52)67)54-30-14-16-31-56(54)71(59)57-32-17-19-34-64(57)74(51-28-20-27-48(41-51)45-21-8-5-9-22-45)65-43-50(35-37-58(65)71)49-36-39-63-55(42-49)53-29-15-18-33-62(53)75(63)70-72-60(46-23-10-6-11-24-46)44-61(73-70)47-25-12-7-13-26-47;1-2/h3,5-44H,1,4H2,2H3;1-2H3
InChIKeyXABUKGARYYVRJW-UHFFFAOYSA-N
MW1003.26 g/mol
LogP19.37
Rot. Bonds8

About 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane

3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane (PubChem CID 144605525) has the molecular formula C73H54N4O and a molecular weight of 1003.26 g/mol. Its IUPAC name is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane.

Molecular Properties

Compound Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane
PubChem CID144605525
Molecular FormulaC73H54N4O
Molecular Weight1003.26 g/mol
Exact Mass1002.43
IUPAC Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane
SMILESC=Cc1c(CC)oc2ccc3c(c12)-c1ccccc1C31c2ccccc2N(c2cccc(-c3ccccc3)c2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.CC
InChIInChI=1S/C71H48N4O.C2H6/c1-3-52-66(4-2)76-67-40-38-59-68(69(52)67)54-30-14-16-31-56(54)71(59)57-32-17-19-34-64(57)74(51-28-20-27-48(41-51)45-21-8-5-9-22-45)65-43-50(35-37-58(65)71)49-36-39-63-55(42-49)53-29-15-18-33-62(53)75(63)70-72-60(46-23-10-6-11-24-46)44-61(73-70)47-25-12-7-13-26-47;1-2/h3,5-44H,1,4H2,2H3;1-2H3
InChIKeyXABUKGARYYVRJW-UHFFFAOYSA-N
XLogP19.37
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.26
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 118104042
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 118231882
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 159371492
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 118231877
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 118103988
9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole
CID 153483840
3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
CID 145360960
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,9'-fluorene];3-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];4'-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];4'-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];10-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 160944631
10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 167177382
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640
3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276709

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane?
The IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane (CID 144605525) is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane.
What is the SMILES notation for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane?
The canonical SMILES for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane is C=Cc1c(CC)oc2ccc3c(c12)-c1ccccc1C31c2ccccc2N(c2cccc(-c3ccccc3)c2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.CC.
What is the InChIKey of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane?
The InChIKey is XABUKGARYYVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N4O.C2H6/c1-3-52-66(4-2)76-67-40-38-59-68(69(52)67)54-30-14-16-31-56(54)71(59)57-32-17-19-34-64(57)74(51-28-20-27-48(41-51)45-21-8-5-9-22-45)65-43-50(35-37-58(65)71)49-36-39-63-55(42-49)53-29-15-18-33-62(53)75(63)70-72-60(46-23-10-6-11-24-46)44-61(73-70)47-25-12-7-13-26-47;1-2/h3,5-44H,1,4H2,2H3;1-2H3.
What are the key properties of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane?
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane has a molecular weight of 1003.26 g/mol, XLogP of 19.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane is sourced from PubChem (CID 144605525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).