N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine

C64H46N2 — CID 166647118

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C64H46N2/c1-63(2)55-30-16-12-26-50(55)53-39-38-49(42-58(53)63)65(48-36-34-44(35-37-48)43-20-6-3-7-21-43)60-40-46(41-61-62(60)54-29-15-19-33-59(54)66(61)47-24-10-5-11-25-47)64(45-22-8-4-9-23-45)56-31-17-13-27-51(56)52-28-14-18-32-57(52)64/h3-42H,1-2H3
InChIKeyJKDOROFAMFJDBW-UHFFFAOYSA-N
MW843.09 g/mol
LogP16.59
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 166647118) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine
PubChem CID166647118
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C64H46N2/c1-63(2)55-30-16-12-26-50(55)53-39-38-49(42-58(53)63)65(48-36-34-44(35-37-48)43-20-6-3-7-21-43)60-40-46(41-61-62(60)54-29-15-19-33-59(54)66(61)47-24-10-5-11-25-47)64(45-22-8-4-9-23-45)56-31-17-13-27-51(56)52-28-14-18-32-57(52)64/h3-42H,1-2H3
InChIKeyJKDOROFAMFJDBW-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

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391609
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161037928
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 126605201
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167334138
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162012956
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane
CID 159335093
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenylcarbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157289392
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 162087677
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 154965664

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine (CID 166647118) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc4c3c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is JKDOROFAMFJDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)55-30-16-12-26-50(55)53-39-38-49(42-58(53)63)65(48-36-34-44(35-37-48)43-20-6-3-7-21-43)60-40-46(41-61-62(60)54-29-15-19-33-59(54)66(61)47-24-10-5-11-25-47)64(45-22-8-4-9-23-45)56-31-17-13-27-51(56)52-28-14-18-32-57(52)64/h3-42H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-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-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 166647118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).