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

C35H21BrN2 — CID 122551801

IUPAC2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H21BrN2/c36-24-20-18-23(19-21-24)34-37-32(22-10-2-1-3-11-22)31-33(38-34)27-14-6-9-17-30(27)35(31)28-15-7-4-12-25(28)26-13-5-8-16-29(26)35/h1-21H
InChIKeyGOJLPUCMQILFNC-UHFFFAOYSA-N
MW549.47 g/mol
LogP8.92
Rot. Bonds2

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

2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] (PubChem CID 122551801) has the molecular formula C35H21BrN2 and a molecular weight of 549.47 g/mol. Its IUPAC name is 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine].

Molecular Properties

Compound Name2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
PubChem CID122551801
Molecular FormulaC35H21BrN2
Molecular Weight549.47 g/mol
Exact Mass548.09
IUPAC Name2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H21BrN2/c36-24-20-18-23(19-21-24)34-37-32(22-10-2-1-3-11-22)31-33(38-34)27-14-6-9-17-30(27)35(31)28-15-7-4-12-25(28)26-13-5-8-16-29(26)35/h1-21H
InChIKeyGOJLPUCMQILFNC-UHFFFAOYSA-N
XLogP8.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.47
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372549
2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine
CID 129084550
5'-(2-phenylquinazolin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855192
5'-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855115
2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372584
2',10-diphenyl-4'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine];2',10-diphenyl-4'-(4-phenylphenyl)spiro[acridine-9,9'-indeno[2,1-d]pyrimidine];4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,9'-indeno[2,1-d]pyrimidine]
CID 157266633
5'-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855300
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-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
5'-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855074
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

Frequently Asked Questions

What is the IUPAC name of 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]?
The IUPAC name of 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] (CID 122551801) is 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine].
What is the SMILES notation for 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]?
The canonical SMILES for 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] is Brc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]?
The InChIKey is GOJLPUCMQILFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21BrN2/c36-24-20-18-23(19-21-24)34-37-32(22-10-2-1-3-11-22)31-33(38-34)27-14-6-9-17-30(27)35(31)28-15-7-4-12-25(28)26-13-5-8-16-29(26)35/h1-21H.
What are the key properties of 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]?
2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] has a molecular weight of 549.47 g/mol, XLogP of 8.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine] is sourced from PubChem (CID 122551801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).