4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]

C56H38N2 — CID 144556721

IUPAC4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
SMILESCC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C56H38N2/c1-35-15-14-25-49-55(35)43-22-9-12-24-48(43)56(49)47-23-11-8-20-40(47)44-33-46-45-31-36(28-30-52(45)58(54(46)34-50(44)56)39-18-6-3-7-19-39)37-27-29-42-41-21-10-13-26-51(41)57(53(42)32-37)38-16-4-2-5-17-38/h2-14,16-35H,15H2,1H3
InChIKeyJBPLYZJQVBYWEN-UHFFFAOYSA-N
MW738.93 g/mol
LogP14.23
Rot. Bonds3

About 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]

4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 144556721) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
PubChem CID144556721
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
SMILESCC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C56H38N2/c1-35-15-14-25-49-55(35)43-22-9-12-24-48(43)56(49)47-23-11-8-20-40(47)44-33-46-45-31-36(28-30-52(45)58(54(46)34-50(44)56)39-18-6-3-7-19-39)37-27-29-42-41-21-10-13-26-51(41)57(53(42)32-37)38-16-4-2-5-17-38/h2-14,16-35H,15H2,1H3
InChIKeyJBPLYZJQVBYWEN-UHFFFAOYSA-N
XLogP14.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine
CID 131969708
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole] (CID 144556721) is 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole] is CC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]?
The InChIKey is JBPLYZJQVBYWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-35-15-14-25-49-55(35)43-22-9-12-24-48(43)56(49)47-23-11-8-20-40(47)44-33-46-45-31-36(28-30-52(45)58(54(46)34-50(44)56)39-18-6-3-7-19-39)37-27-29-42-41-21-10-13-26-51(41)57(53(42)32-37)38-16-4-2-5-17-38/h2-14,16-35H,15H2,1H3.
What are the key properties of 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]?
4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 738.93 g/mol, XLogP of 14.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 144556721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).