10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]

C71H46N4 — CID 118231882

IUPAC10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7N(c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c7ccccc76)cc5)ccc43)c2)cc1
InChIInChI=1S/C71H46N4/c1-4-19-47(20-5-1)52-25-18-26-55(43-52)74-66-32-15-11-28-58(66)59-44-53(40-42-67(59)74)48-35-37-49(38-36-48)54-39-41-57-56-27-10-12-29-60(56)71(63(57)45-54)61-30-13-16-33-68(61)75(69-34-17-14-31-62(69)71)70-72-64(50-21-6-2-7-22-50)46-65(73-70)51-23-8-3-9-24-51/h1-46H
InChIKeyZHTRAZHNOHXLRS-UHFFFAOYSA-N
MW955.18 g/mol
LogP18.06
Rot. Bonds7

About 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]

10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 118231882) has the molecular formula C71H46N4 and a molecular weight of 955.18 g/mol. Its IUPAC name is 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID118231882
Molecular FormulaC71H46N4
Molecular Weight955.18 g/mol
Exact Mass954.37
IUPAC Name10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7N(c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c7ccccc76)cc5)ccc43)c2)cc1
InChIInChI=1S/C71H46N4/c1-4-19-47(20-5-1)52-25-18-26-55(43-52)74-66-32-15-11-28-58(66)59-44-53(40-42-67(59)74)48-35-37-49(38-36-48)54-39-41-57-56-27-10-12-29-60(56)71(63(57)45-54)61-30-13-16-33-68(61)75(69-34-17-14-31-62(69)71)70-72-64(50-21-6-2-7-22-50)46-65(73-70)51-23-8-3-9-24-51/h1-46H
InChIKeyZHTRAZHNOHXLRS-UHFFFAOYSA-N
XLogP18.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.18
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene] 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

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
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 157249791
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276709
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
CID 134237041
7-[4-(10',19-diphenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine]-11-yl)phenyl]-10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene-15,9'-acridine]
CID 139524634
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
3-[3-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 58410375
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene] (CID 118231882) is 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7N(c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c7ccccc76)cc5)ccc43)c2)cc1.
What is the InChIKey of 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is ZHTRAZHNOHXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N4/c1-4-19-47(20-5-1)52-25-18-26-55(43-52)74-66-32-15-11-28-58(66)59-44-53(40-42-67(59)74)48-35-37-49(38-36-48)54-39-41-57-56-27-10-12-29-60(56)71(63(57)45-54)61-30-13-16-33-68(61)75(69-34-17-14-31-62(69)71)70-72-64(50-21-6-2-7-22-50)46-65(73-70)51-23-8-3-9-24-51/h1-46H.
What are the key properties of 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]?
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 955.18 g/mol, XLogP of 18.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 118231882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).