N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine

C62H42N2 — CID 165065347

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C62H42N2/c1-61(2)52-25-10-6-20-44(52)47-33-30-41(36-56(47)61)63(43-32-35-50-49-23-9-13-29-58(49)64(59(50)38-43)40-18-4-3-5-19-40)42-31-34-48-51-24-14-16-39-17-15-28-55(60(39)51)62(57(48)37-42)53-26-11-7-21-45(53)46-22-8-12-27-54(46)62/h3-38H,1-2H3/i7D,11D,21D,26D
InChIKeyAELUPPFWHNGTMP-FNEWKPGWSA-N
MW819.06 g/mol
LogP16.06
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine (PubChem CID 165065347) has the molecular formula C62H42N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
PubChem CID165065347
Molecular FormulaC62H42N2
Molecular Weight819.06 g/mol
Exact Mass818.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C62H42N2/c1-61(2)52-25-10-6-20-44(52)47-33-30-41(36-56(47)61)63(43-32-35-50-49-23-9-13-29-58(49)64(59(50)38-43)40-18-4-3-5-19-40)42-31-34-48-51-24-14-16-39-17-15-28-55(60(39)51)62(57(48)37-42)53-26-11-7-21-45(53)46-22-8-12-27-54(46)62/h3-38H,1-2H3/i7D,11D,21D,26D
InChIKeyAELUPPFWHNGTMP-FNEWKPGWSA-N
XLogP16.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
CID 164975470
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165015040
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165052697
N,9-diphenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165019267
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;methane;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 159823788
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 165069315
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 164732134
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N-phenyl-9-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 165106958
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 165023842
9-phenyl-N-(4-phenylphenyl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165019271

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine (CID 165065347) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2-c2cccc3cccc1c23.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine?
The InChIKey is AELUPPFWHNGTMP-FNEWKPGWSA-N. The full InChI is InChI=1S/C62H42N2/c1-61(2)52-25-10-6-20-44(52)47-33-30-41(36-56(47)61)63(43-32-35-50-49-23-9-13-29-58(49)64(59(50)38-43)40-18-4-3-5-19-40)42-31-34-48-51-24-14-16-39-17-15-28-55(60(39)51)62(57(48)37-42)53-26-11-7-21-45(53)46-22-8-12-27-54(46)62/h3-38H,1-2H3/i7D,11D,21D,26D.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine has a molecular weight of 819.06 g/mol, XLogP of 16.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine is sourced from PubChem (CID 165065347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).