N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine

C53H38N2 — CID 170138083

IUPACN-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-n3c4ccccc4c4ccccc43)c3cccc4c3ccc3ccccc34)cccc21
InChIInChI=1S/C53H38N2/c1-53(2)44-25-9-5-22-43(44)52-42(24-15-26-45(52)53)40-21-8-12-29-48(40)55(49-32-16-23-37-36-18-4-3-17-35(36)33-34-41(37)49)51-31-14-13-30-50(51)54-46-27-10-6-19-38(46)39-20-7-11-28-47(39)54/h3-34H,1-2H3
InChIKeyZLYLYLXRBAGRGA-UHFFFAOYSA-N
MW702.90 g/mol
LogP14.53
Rot. Bonds5

About N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine

N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine (PubChem CID 170138083) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine
PubChem CID170138083
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC NameN-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-n3c4ccccc4c4ccccc43)c3cccc4c3ccc3ccccc34)cccc21
InChIInChI=1S/C53H38N2/c1-53(2)44-25-9-5-22-43(44)52-42(24-15-26-45(52)53)40-21-8-12-29-48(40)55(49-32-16-23-37-36-18-4-3-17-35(36)33-34-41(37)49)51-31-14-13-30-50(51)54-46-27-10-6-19-38(46)39-20-7-11-28-47(39)54/h3-34H,1-2H3
InChIKeyZLYLYLXRBAGRGA-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170138074
N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170138007
N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170138005
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenanthren-1-yldibenzothiophen-1-amine
CID 170138268
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170304142
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine
CID 170142102
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline
CID 170135024
N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-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]-4'-amine
CID 135168193
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
N-(5-benzo[c]carbazol-7-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine;5-benzo[c]carbazol-7-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;5-benzo[c]carbazol-7-yl-9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159555776
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine (CID 170138083) is N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-n3c4ccccc4c4ccccc43)c3cccc4c3ccc3ccccc34)cccc21.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine?
The InChIKey is ZLYLYLXRBAGRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-53(2)44-25-9-5-22-43(44)52-42(24-15-26-45(52)53)40-21-8-12-29-48(40)55(49-32-16-23-37-36-18-4-3-17-35(36)33-34-41(37)49)51-31-14-13-30-50(51)54-46-27-10-6-19-38(46)39-20-7-11-28-47(39)54/h3-34H,1-2H3.
What are the key properties of N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine?
N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine has a molecular weight of 702.90 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine is sourced from PubChem (CID 170138083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).