N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

C63H50N2 — CID 170447559

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc(-n5c6ccccc6c6ccccc65)cc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
InChIInChI=1S/C63H50N2/c1-61(2)36-37-62(3,4)57-38-41(30-35-55(57)61)50-39-51-47-22-10-15-27-54(47)63(52-25-13-8-20-45(52)46-21-9-14-26-53(46)63)56(51)40-60(50)64(42-18-6-5-7-19-42)43-31-33-44(34-32-43)65-58-28-16-11-23-48(58)49-24-12-17-29-59(49)65/h5-35,38-40H,36-37H2,1-4H3
InChIKeyWTIUOZYMXILNCR-UHFFFAOYSA-N
MW835.11 g/mol
LogP16.61
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170447559) has the molecular formula C63H50N2 and a molecular weight of 835.11 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170447559
Molecular FormulaC63H50N2
Molecular Weight835.11 g/mol
Exact Mass834.40
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc(-n5c6ccccc6c6ccccc65)cc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
InChIInChI=1S/C63H50N2/c1-61(2)36-37-62(3,4)57-38-41(30-35-55(57)61)50-39-51-47-22-10-15-27-54(47)63(52-25-13-8-20-45(52)46-21-9-14-26-53(46)63)56(51)40-60(50)64(42-18-6-5-7-19-42)43-31-33-44(34-32-43)65-58-28-16-11-23-48(58)49-24-12-17-29-59(49)65/h5-35,38-40H,36-37H2,1-4H3
InChIKeyWTIUOZYMXILNCR-UHFFFAOYSA-N
XLogP16.61
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.11
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine with MolForge

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Related Compounds

N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449512
N-phenanthren-9-yl-N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448552
9,9-dimethyl-N,N-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445023
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447496
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445039
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445119
N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447239
N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163
9,9-dimethyl-N,N-diphenyl-7-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-yl]fluoren-2-amine
CID 170279466
N-phenyl-3'-(5-phenylbenzo[b]carbazol-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138730031
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445032
9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 138728948

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170447559) is N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc(-n5c6ccccc6c6ccccc65)cc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is WTIUOZYMXILNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50N2/c1-61(2)36-37-62(3,4)57-38-41(30-35-55(57)61)50-39-51-47-22-10-15-27-54(47)63(52-25-13-8-20-45(52)46-21-9-14-26-53(46)63)56(51)40-60(50)64(42-18-6-5-7-19-42)43-31-33-44(34-32-43)65-58-28-16-11-23-48(58)49-24-12-17-29-59(49)65/h5-35,38-40H,36-37H2,1-4H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 835.11 g/mol, XLogP of 16.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170447559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).