5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]

C49H37N — CID 131969730

IUPAC5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]
SMILESC1=CC2=C(CC1)C1(C3=C2C=CCC3)C2=C(C=CCC2)c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C49H37N/c1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)50-47-26-14-10-22-40(47)42-30-46-41(31-48(42)50)39-21-9-13-25-45(39)49(46)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-10,14-22,26-31H,11-13,23-25H2
InChIKeyRUKSVFMAFCSKGR-UHFFFAOYSA-N
MW639.84 g/mol
LogP12.78
Rot. Bonds3

About 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]

5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole] (PubChem CID 131969730) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole].

Molecular Properties

Compound Name5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]
PubChem CID131969730
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]
SMILESC1=CC2=C(CC1)C1(C3=C2C=CCC3)C2=C(C=CCC2)c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C49H37N/c1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)50-47-26-14-10-22-40(47)42-30-46-41(31-48(42)50)39-21-9-13-25-45(39)49(46)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-10,14-22,26-31H,11-13,23-25H2
InChIKeyRUKSVFMAFCSKGR-UHFFFAOYSA-N
XLogP12.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole] with MolForge

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Related Compounds

9-(3,5-diphenylphenyl)carbazole
CID 86068368
22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464780
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole
CID 166914013
22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087294
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 146581716
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868

Frequently Asked Questions

What is the IUPAC name of 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]?
The IUPAC name of 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole] (CID 131969730) is 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole].
What is the SMILES notation for 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]?
The canonical SMILES for 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole] is C1=CC2=C(CC1)C1(C3=C2C=CCC3)C2=C(C=CCC2)c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]?
The InChIKey is RUKSVFMAFCSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)50-47-26-14-10-22-40(47)42-30-46-41(31-48(42)50)39-21-9-13-25-45(39)49(46)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-10,14-22,26-31H,11-13,23-25H2.
What are the key properties of 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]?
5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole] has a molecular weight of 639.84 g/mol, XLogP of 12.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole] is sourced from PubChem (CID 131969730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).