9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine

C61H43N — CID 166956448

IUPAC9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc21
InChIInChI=1S/C61H43N/c1-61(2)59-22-12-11-21-55(59)56-36-35-48(39-60(56)61)62(47-33-29-43(30-34-47)58-38-45-14-4-6-16-50(45)52-18-8-10-20-54(52)58)46-31-27-41(28-32-46)40-23-25-42(26-24-40)57-37-44-13-3-5-15-49(44)51-17-7-9-19-53(51)57/h3-39H,1-2H3
InChIKeyACLCTGZCBBJTFF-UHFFFAOYSA-N
MW790.02 g/mol
LogP17.08
Rot. Bonds6

About 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine (PubChem CID 166956448) has the molecular formula C61H43N and a molecular weight of 790.02 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
PubChem CID166956448
Molecular FormulaC61H43N
Molecular Weight790.02 g/mol
Exact Mass789.34
IUPAC Name9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc21
InChIInChI=1S/C61H43N/c1-61(2)59-22-12-11-21-55(59)56-36-35-48(39-60(56)61)62(47-33-29-43(30-34-47)58-38-45-14-4-6-16-50(45)52-18-8-10-20-54(52)58)46-31-27-41(28-32-46)40-23-25-42(26-24-40)57-37-44-13-3-5-15-49(44)51-17-7-9-19-53(51)57/h3-39H,1-2H3
InChIKeyACLCTGZCBBJTFF-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.02
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464839
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine
CID 159222456
N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
CID 134464892
9,9-dimethyl-N,N-bis(4-phenanthren-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158135143

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine (CID 166956448) is 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine?
The InChIKey is ACLCTGZCBBJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N/c1-61(2)59-22-12-11-21-55(59)56-36-35-48(39-60(56)61)62(47-33-29-43(30-34-47)58-38-45-14-4-6-16-50(45)52-18-8-10-20-54(52)58)46-31-27-41(28-32-46)40-23-25-42(26-24-40)57-37-44-13-3-5-15-49(44)51-17-7-9-19-53(51)57/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine has a molecular weight of 790.02 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 166956448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).