9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine

C59H42N2 — CID 170543858

IUPAC9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cccc21
InChIInChI=1S/C59H42N2/c1-59(2)53-26-12-10-25-50(53)58-54(59)27-15-29-57(58)60(45-20-14-17-41(36-45)51-38-42-16-6-7-21-46(42)47-22-8-9-23-48(47)51)44-33-30-39(31-34-44)40-32-35-56-52(37-40)49-24-11-13-28-55(49)61(56)43-18-4-3-5-19-43/h3-38H,1-2H3
InChIKeyJLKCJFMFRNCWTK-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.20
Rot. Bonds6

About 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine

9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine (PubChem CID 170543858) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
PubChem CID170543858
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC Name9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cccc21
InChIInChI=1S/C59H42N2/c1-59(2)53-26-12-10-25-50(53)58-54(59)27-15-29-57(58)60(45-20-14-17-41(36-45)51-38-42-16-6-7-21-46(42)47-22-8-9-23-48(47)51)44-33-30-39(31-34-44)40-32-35-56-52(37-40)49-24-11-13-28-55(49)61(56)43-18-4-3-5-19-43/h3-38H,1-2H3
InChIKeyJLKCJFMFRNCWTK-UHFFFAOYSA-N
XLogP16.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.20
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

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779880
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine
CID 142427212
N-[4-(3-carbazol-9-ylphenyl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-(7-carbazol-9-yl-4-phenylnaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158279061
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-(9,9-dimethylfluoren-4-yl)-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169060749
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine (CID 170543858) is 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?
The InChIKey is JLKCJFMFRNCWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-59(2)53-26-12-10-25-50(53)58-54(59)27-15-29-57(58)60(45-20-14-17-41(36-45)51-38-42-16-6-7-21-46(42)47-22-8-9-23-48(47)51)44-33-30-39(31-34-44)40-32-35-56-52(37-40)49-24-11-13-28-55(49)61(56)43-18-4-3-5-19-43/h3-38H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine has a molecular weight of 779.00 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 170543858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).