11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

C49H31N — CID 118331859

IUPAC11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(c43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C49H31N/c1-3-15-32(16-4-1)34-29-35(33-17-5-2-6-18-33)31-36(30-34)50-46-26-14-10-22-40(46)42-28-27-41-39-21-9-13-25-45(39)49(47(41)48(42)50)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-31H
InChIKeyRESYNAKRJWXBIS-UHFFFAOYSA-N
MW633.79 g/mol
LogP12.46
Rot. Bonds3

About 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (PubChem CID 118331859) has the molecular formula C49H31N and a molecular weight of 633.79 g/mol. Its IUPAC name is 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole].

Molecular Properties

Compound Name11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
PubChem CID118331859
Molecular FormulaC49H31N
Molecular Weight633.79 g/mol
Exact Mass633.25
IUPAC Name11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(c43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C49H31N/c1-3-15-32(16-4-1)34-29-35(33-17-5-2-6-18-33)31-36(30-34)50-46-26-14-10-22-40(46)42-28-27-41-39-21-9-13-25-45(39)49(47(41)48(42)50)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-31H
InChIKeyRESYNAKRJWXBIS-UHFFFAOYSA-N
XLogP12.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.79
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
CID 143873592
8',11'-bis(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331815
12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
CID 58142117
11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118332070
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
11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 123926035
12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole
CID 126580433
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 158116203
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 161266285
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158828400
2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
CID 129133135

Frequently Asked Questions

What is the IUPAC name of 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The IUPAC name of 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (CID 118331859) is 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole].
What is the SMILES notation for 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The canonical SMILES for 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(c43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1.
What is the InChIKey of 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The InChIKey is RESYNAKRJWXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N/c1-3-15-32(16-4-1)34-29-35(33-17-5-2-6-18-33)31-36(30-34)50-46-26-14-10-22-40(46)42-28-27-41-39-21-9-13-25-45(39)49(47(41)48(42)50)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-31H.
What are the key properties of 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] has a molecular weight of 633.79 g/mol, XLogP of 12.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is sourced from PubChem (CID 118331859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).