9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole

C56H37N — CID 158819687

IUPAC9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Cc6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)cc4)ccc32)cc1
InChIInChI=1S/C56H37N/c1-2-14-43(15-3-1)57-53-24-11-7-18-46(53)48-36-41(33-34-54(48)57)40-31-29-39(30-32-40)38-27-25-37(26-28-38)35-42-13-12-23-52-55(42)47-19-6-10-22-51(47)56(52)49-20-8-4-16-44(49)45-17-5-9-21-50(45)56/h1-34,36H,35H2
InChIKeyCDUYJDNGCFOFGX-UHFFFAOYSA-N
MW723.92 g/mol
LogP14.05
Rot. Bonds5

About 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole

9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole (PubChem CID 158819687) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
PubChem CID158819687
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC Name9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Cc6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)cc4)ccc32)cc1
InChIInChI=1S/C56H37N/c1-2-14-43(15-3-1)57-53-24-11-7-18-46(53)48-36-41(33-34-54(48)57)40-31-29-39(30-32-40)38-27-25-37(26-28-38)35-42-13-12-23-52-55(42)47-19-6-10-22-51(47)56(52)49-20-8-4-16-44(49)45-17-5-9-21-50(45)56/h1-34,36H,35H2
InChIKeyCDUYJDNGCFOFGX-UHFFFAOYSA-N
XLogP14.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline
CID 137468935
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 159140544
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
9-phenyl-3-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272511
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 146659255
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 159140546

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole (CID 158819687) is 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Cc6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)cc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole?
The InChIKey is CDUYJDNGCFOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-14-43(15-3-1)57-53-24-11-7-18-46(53)48-36-41(33-34-54(48)57)40-31-29-39(30-32-40)38-27-25-37(26-28-38)35-42-13-12-23-52-55(42)47-19-6-10-22-51(47)56(52)49-20-8-4-16-44(49)45-17-5-9-21-50(45)56/h1-34,36H,35H2.
What are the key properties of 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole?
9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole has a molecular weight of 723.92 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158819687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).