9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine

C64H50N2 — CID 156568218

IUPAC9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H50N2/c1-4-12-44(13-5-1)46-20-26-53(27-21-46)65(54-28-22-47(23-29-54)45-14-6-2-7-15-45)55-30-33-63-59(41-55)58-40-49(25-32-62(58)66(63)52-16-8-3-9-17-52)48-24-31-61-57(39-48)56-18-10-11-19-60(56)64(61)50-35-42-34-43(37-50)38-51(64)36-42/h1-33,39-43,50-51H,34-38H2
InChIKeyZOHNORWWWJPWCL-UHFFFAOYSA-N
MW847.12 g/mol
LogP16.98
Rot. Bonds7

About 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine

9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine (PubChem CID 156568218) has the molecular formula C64H50N2 and a molecular weight of 847.12 g/mol. Its IUPAC name is 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
PubChem CID156568218
Molecular FormulaC64H50N2
Molecular Weight847.12 g/mol
Exact Mass846.40
IUPAC Name9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H50N2/c1-4-12-44(13-5-1)46-20-26-53(27-21-46)65(54-28-22-47(23-29-54)45-14-6-2-7-15-45)55-30-33-63-59(41-55)58-40-49(25-32-62(58)66(63)52-16-8-3-9-17-52)48-24-31-61-57(39-48)56-18-10-11-19-60(56)64(61)50-35-42-34-43(37-50)38-51(64)36-42/h1-33,39-43,50-51H,34-38H2
InChIKeyZOHNORWWWJPWCL-UHFFFAOYSA-N
XLogP16.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.12
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine
CID 168723056
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-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722836
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-ylcarbazol-3-amine
CID 159384155
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
3'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)carbazole
CID 164972681
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-(3-carbazol-9-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine
CID 156568213

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine (CID 156568218) is 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The InChIKey is ZOHNORWWWJPWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N2/c1-4-12-44(13-5-1)46-20-26-53(27-21-46)65(54-28-22-47(23-29-54)45-14-6-2-7-15-45)55-30-33-63-59(41-55)58-40-49(25-32-62(58)66(63)52-16-8-3-9-17-52)48-24-31-61-57(39-48)56-18-10-11-19-60(56)64(61)50-35-42-34-43(37-50)38-51(64)36-42/h1-33,39-43,50-51H,34-38H2.
What are the key properties of 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine has a molecular weight of 847.12 g/mol, XLogP of 16.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine is sourced from PubChem (CID 156568218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).