9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine

C53H39N — CID 174306082

IUPAC9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccccc4)ccc3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H39N/c1-53(2)50-27-14-13-26-46(50)47-31-29-42(35-51(47)53)54(41-22-15-21-38(32-41)36-16-5-3-6-17-36)52-34-39(37-18-7-4-8-19-37)28-30-48(52)49-33-40-20-9-10-23-43(40)44-24-11-12-25-45(44)49/h3-35H,1-2H3
InChIKeyADKHDKPHFHYMDG-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 174306082) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
PubChem CID174306082
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC Name9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccccc4)ccc3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H39N/c1-53(2)50-27-14-13-26-46(50)47-31-29-42(35-51(47)53)54(41-22-15-21-38(32-41)36-16-5-3-6-17-36)52-34-39(37-18-7-4-8-19-37)28-30-48(52)49-33-40-20-9-10-23-43(40)44-24-11-12-25-45(44)49/h3-35H,1-2H3
InChIKeyADKHDKPHFHYMDG-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
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-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177274751
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
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-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158155243
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 58050488
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine
CID 170065730
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine (CID 174306082) is 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccccc4)ccc3-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is ADKHDKPHFHYMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)50-27-14-13-26-46(50)47-31-29-42(35-51(47)53)54(41-22-15-21-38(32-41)36-16-5-3-6-17-36)52-34-39(37-18-7-4-8-19-37)28-30-48(52)49-33-40-20-9-10-23-43(40)44-24-11-12-25-45(44)49/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 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-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 174306082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).