8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine

C56H44N2 — CID 156578476

IUPAC8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4c-3cccc4-n3c4ccccc4c4ccccc43)C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H44N2/c1-2-14-39(15-3-1)45-17-6-9-21-51(45)57(43-26-25-38-13-4-5-16-40(38)34-43)44-27-28-46-49-20-12-24-54(58-52-22-10-7-18-47(52)48-19-8-11-23-53(48)58)55(49)56(50(46)35-44)41-30-36-29-37(32-41)33-42(56)31-36/h1-28,34-37,41-42H,29-33H2
InChIKeySJMGQHZJGSKGPF-UHFFFAOYSA-N
MW744.98 g/mol
LogP14.80
Rot. Bonds5

About 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine

8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 156578476) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID156578476
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC Name8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4c-3cccc4-n3c4ccccc4c4ccccc43)C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H44N2/c1-2-14-39(15-3-1)45-17-6-9-21-51(45)57(43-26-25-38-13-4-5-16-40(38)34-43)44-27-28-46-49-20-12-24-54(58-52-22-10-7-18-47(52)48-19-8-11-23-53(48)58)55(49)56(50(46)35-44)41-30-36-29-37(32-41)33-42(56)31-36/h1-28,34-37,41-42H,29-33H2
InChIKeySJMGQHZJGSKGPF-UHFFFAOYSA-N
XLogP14.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbazol-9-yl-5-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 156578554
N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393870
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160999297
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399556
N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460
N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine
CID 158024672
N-(2,4-diphenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 163855626
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline
CID 174309899
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696

Frequently Asked Questions

What is the IUPAC name of 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 156578476) is 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4c-3cccc4-n3c4ccccc4c4ccccc43)C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is SJMGQHZJGSKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-2-14-39(15-3-1)45-17-6-9-21-51(45)57(43-26-25-38-13-4-5-16-40(38)34-43)44-27-28-46-49-20-12-24-54(58-52-22-10-7-18-47(52)48-19-8-11-23-53(48)58)55(49)56(50(46)35-44)41-30-36-29-37(32-41)33-42(56)31-36/h1-28,34-37,41-42H,29-33H2.
What are the key properties of 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine?
8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 744.98 g/mol, XLogP of 14.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 156578476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).