N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine

C64H46N2 — CID 170138490

IUPACN-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C64H46N2/c1-63(2)55-33-14-10-31-53(55)62-52(32-20-35-58(62)63)51-30-13-16-36-59(51)65(45-25-19-26-46(41-45)66-60-37-17-11-28-49(60)50-29-12-18-38-61(50)66)47-39-40-57-54(42-47)48-27-9-15-34-56(48)64(57,43-21-5-3-6-22-43)44-23-7-4-8-24-44/h3-42H,1-2H3
InChIKeyJSEFXHDCLOKEFP-UHFFFAOYSA-N
MW843.09 g/mol
LogP16.59
Rot. Bonds7

About N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine

N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine (PubChem CID 170138490) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine
PubChem CID170138490
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C64H46N2/c1-63(2)55-33-14-10-31-53(55)62-52(32-20-35-58(62)63)51-30-13-16-36-59(51)65(45-25-19-26-46(41-45)66-60-37-17-11-28-49(60)50-29-12-18-38-61(50)66)47-39-40-57-54(42-47)48-27-9-15-34-56(48)64(57,43-21-5-3-6-22-43)44-23-7-4-8-24-44/h3-42H,1-2H3
InChIKeyJSEFXHDCLOKEFP-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
CID 170138428
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170138253
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 170138277
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 170143599
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193232
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 158465286
7-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193235
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 121423814
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 135168500
2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170138315
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine (CID 170138490) is N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine?
The InChIKey is JSEFXHDCLOKEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)55-33-14-10-31-53(55)62-52(32-20-35-58(62)63)51-30-13-16-36-59(51)65(45-25-19-26-46(41-45)66-60-37-17-11-28-49(60)50-29-12-18-38-61(50)66)47-39-40-57-54(42-47)48-27-9-15-34-56(48)64(57,43-21-5-3-6-22-43)44-23-7-4-8-24-44/h3-42H,1-2H3.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine?
N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine has a molecular weight of 843.09 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 170138490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).