N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine

C62H47N — CID 118500370

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C62H47N/c1-61(2)57-21-13-12-20-52(57)53-33-28-44(37-58(53)61)41-26-30-47(31-27-41)63(46-15-6-5-7-16-46)48-32-35-55-54-34-29-43(38-59(54)62(3,4)60(55)39-48)40-22-24-42(25-23-40)56-36-45-14-8-9-17-49(45)50-18-10-11-19-51(50)56/h5-39H,1-4H3
InChIKeyOERFYLUYACSBER-UHFFFAOYSA-N
MW806.07 g/mol
LogP17.08
Rot. Bonds6

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine (PubChem CID 118500370) has the molecular formula C62H47N and a molecular weight of 806.07 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
PubChem CID118500370
Molecular FormulaC62H47N
Molecular Weight806.07 g/mol
Exact Mass805.37
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C62H47N/c1-61(2)57-21-13-12-20-52(57)53-33-28-44(37-58(53)61)41-26-30-47(31-27-41)63(46-15-6-5-7-16-46)48-32-35-55-54-34-29-43(38-59(54)62(3,4)60(55)39-48)40-22-24-42(25-23-40)56-36-45-14-8-9-17-49(45)50-18-10-11-19-51(50)56/h5-39H,1-4H3
InChIKeyOERFYLUYACSBER-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.07
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

N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385
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
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
10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 177079830
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-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine (CID 118500370) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)ccc4-5)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine?
The InChIKey is OERFYLUYACSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N/c1-61(2)57-21-13-12-20-52(57)53-33-28-44(37-58(53)61)41-26-30-47(31-27-41)63(46-15-6-5-7-16-46)48-32-35-55-54-34-29-43(38-59(54)62(3,4)60(55)39-48)40-22-24-42(25-23-40)56-36-45-14-8-9-17-49(45)50-18-10-11-19-51(50)56/h5-39H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine has a molecular weight of 806.07 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 N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 118500370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).