4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]

C47H29N3 — CID 118527794

IUPAC4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(n2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C47H29N3/c1-2-14-31(15-3-1)46-48-44(30-26-28-32(29-27-30)50-41-24-12-7-18-35(41)36-19-8-13-25-42(36)50)43-45(49-46)37-20-6-11-23-40(37)47(43)38-21-9-4-16-33(38)34-17-5-10-22-39(34)47/h1-29H
InChIKeyAGZUCIATXBMWPJ-UHFFFAOYSA-N
MW635.77 g/mol
LogP11.25
Rot. Bonds3

About 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]

4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] (PubChem CID 118527794) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine].

Molecular Properties

Compound Name4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
PubChem CID118527794
Molecular FormulaC47H29N3
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC Name4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(n2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C47H29N3/c1-2-14-31(15-3-1)46-48-44(30-26-28-32(29-27-30)50-41-24-12-7-18-35(41)36-19-8-13-25-42(36)50)43-45(49-46)37-20-6-11-23-40(37)47(43)38-21-9-4-16-33(38)34-17-5-10-22-39(34)47/h1-29H
InChIKeyAGZUCIATXBMWPJ-UHFFFAOYSA-N
XLogP11.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] with MolForge

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Related Compounds

4'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine]
CID 118372555
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167177028
11'-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,4-triphenyl-6-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)phenyl]phenyl]-3,4,5-triphenylphenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 147429152
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100123
2-(4-bromophenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;9H-fluorene
CID 160836570
2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 122551801
5-(2-carbazol-9-ylphenyl)-2,4-bis(4-phenylphenyl)indeno[1,2-d]pyrimidin-5-ol
CID 118372596
9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146494679
11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 130333924
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721

Frequently Asked Questions

What is the IUPAC name of 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]?
The IUPAC name of 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] (CID 118527794) is 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine].
What is the SMILES notation for 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]?
The canonical SMILES for 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(n2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]?
The InChIKey is AGZUCIATXBMWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-2-14-31(15-3-1)46-48-44(30-26-28-32(29-27-30)50-41-24-12-7-18-35(41)36-19-8-13-25-42(36)50)43-45(49-46)37-20-6-11-23-40(37)47(43)38-21-9-4-16-33(38)34-17-5-10-22-39(34)47/h1-29H.
What are the key properties of 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]?
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] has a molecular weight of 635.77 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] is sourced from PubChem (CID 118527794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).