N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine

C56H44N2 — CID 156573561

IUPACN-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1
InChIInChI=1S/C56H44N2/c1-2-12-44(13-3-1)58-54-17-9-7-15-49(54)51-35-47(25-27-55(51)58)57(45-22-20-39(21-23-45)41-19-18-38-10-4-5-11-40(38)33-41)46-24-26-53-50(34-46)48-14-6-8-16-52(48)56(53)42-29-36-28-37(31-42)32-43(56)30-36/h1-27,33-37,42-43H,28-32H2
InChIKeyPLEWBQFONJEUSU-UHFFFAOYSA-N
MW744.98 g/mol
LogP14.80
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine

N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine (PubChem CID 156573561) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
PubChem CID156573561
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC NameN-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1
InChIInChI=1S/C56H44N2/c1-2-12-44(13-3-1)58-54-17-9-7-15-49(54)51-35-47(25-27-55(51)58)57(45-22-20-39(21-23-45)41-19-18-38-10-4-5-11-40(38)33-41)46-24-26-53-50(34-46)48-14-6-8-16-52(48)56(53)42-29-36-28-37(31-42)32-43(56)30-36/h1-27,33-37,42-43H,28-32H2
InChIKeyPLEWBQFONJEUSU-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-(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-(3-carbazol-9-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine
CID 156568213
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 159036181
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722836
9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568063
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine (CID 156573561) is N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The InChIKey is PLEWBQFONJEUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-2-12-44(13-3-1)58-54-17-9-7-15-49(54)51-35-47(25-27-55(51)58)57(45-22-20-39(21-23-45)41-19-18-38-10-4-5-11-40(38)33-41)46-24-26-53-50(34-46)48-14-6-8-16-52(48)56(53)42-29-36-28-37(31-42)32-43(56)30-36/h1-27,33-37,42-43H,28-32H2.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-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 N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine is sourced from PubChem (CID 156573561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).