2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline

C69H49N — CID 170134948

IUPAC2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C69H49N/c1-69(2)62-35-15-13-31-61(62)68-60(34-19-36-63(68)69)57-28-14-16-37-64(57)70(51-42-38-47(39-43-51)54-33-18-25-48-24-17-32-53(65(48)54)46-20-5-3-6-21-46)52-44-40-50(41-45-52)67-59-30-12-10-27-56(59)55-26-9-11-29-58(55)66(67)49-22-7-4-8-23-49/h3-45H,1-2H3
InChIKeyBBBNXDWFTWLIIY-UHFFFAOYSA-N
MW892.16 g/mol
LogP19.26
Rot. Bonds8

About 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline

2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline (PubChem CID 170134948) has the molecular formula C69H49N and a molecular weight of 892.16 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
PubChem CID170134948
Molecular FormulaC69H49N
Molecular Weight892.16 g/mol
Exact Mass891.39
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C69H49N/c1-69(2)62-35-15-13-31-61(62)68-60(34-19-36-63(68)69)57-28-14-16-37-64(57)70(51-42-38-47(39-43-51)54-33-18-25-48-24-17-32-53(65(48)54)46-20-5-3-6-21-46)52-44-40-50(41-45-52)67-59-30-12-10-27-56(59)55-26-9-11-29-58(55)66(67)49-22-7-4-8-23-49/h3-45H,1-2H3
InChIKeyBBBNXDWFTWLIIY-UHFFFAOYSA-N
XLogP19.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.16
LogP ≤ 519.26
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-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 170135025
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170139876
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 177079849
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170137215
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 169039673

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline (CID 170134948) is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline?
The InChIKey is BBBNXDWFTWLIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N/c1-69(2)62-35-15-13-31-61(62)68-60(34-19-36-63(68)69)57-28-14-16-37-64(57)70(51-42-38-47(39-43-51)54-33-18-25-48-24-17-32-53(65(48)54)46-20-5-3-6-21-46)52-44-40-50(41-45-52)67-59-30-12-10-27-56(59)55-26-9-11-29-58(55)66(67)49-22-7-4-8-23-49/h3-45H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline?
2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline has a molecular weight of 892.16 g/mol, XLogP of 19.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline is sourced from PubChem (CID 170134948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).