N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine

C61H50N2 — CID 160744068

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C61H50N2/c1-60(2)52-16-7-3-12-47(52)48-31-30-46(37-55(48)60)62(58-21-11-18-54-59(58)51-15-4-8-17-53(51)61(54)42-33-38-32-39(35-42)36-43(61)34-38)44-26-22-40(23-27-44)41-24-28-45(29-25-41)63-56-19-9-5-13-49(56)50-14-6-10-20-57(50)63/h3-31,37-39,42-43H,32-36H2,1-2H3
InChIKeyCUICGJKOCXQRQS-UHFFFAOYSA-N
MW811.09 g/mol
LogP15.95
Rot. Bonds5

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 160744068) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID160744068
Molecular FormulaC61H50N2
Molecular Weight811.09 g/mol
Exact Mass810.40
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C61H50N2/c1-60(2)52-16-7-3-12-47(52)48-31-30-46(37-55(48)60)62(58-21-11-18-54-59(58)51-15-4-8-17-53(51)61(54)42-33-38-32-39(35-42)36-43(61)34-38)44-26-22-40(23-27-44)41-24-28-45(29-25-41)63-56-19-9-5-13-49(56)50-14-6-10-20-57(50)63/h3-31,37-39,42-43H,32-36H2,1-2H3
InChIKeyCUICGJKOCXQRQS-UHFFFAOYSA-N
XLogP15.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-2-amine
CID 162170787
CID 161255941
CID 161255941
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
6-N-(9,9-dimethylfluoren-2-yl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 156533302
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
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
9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-4-amine
CID 176595342
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (CID 160744068) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is CUICGJKOCXQRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-60(2)52-16-7-3-12-47(52)48-31-30-46(37-55(48)60)62(58-21-11-18-54-59(58)51-15-4-8-17-53(51)61(54)42-33-38-32-39(35-42)36-43(61)34-38)44-26-22-40(23-27-44)41-24-28-45(29-25-41)63-56-19-9-5-13-49(56)50-14-6-10-20-57(50)63/h3-31,37-39,42-43H,32-36H2,1-2H3.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 811.09 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 160744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).