4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline

C62H43N — CID 169019865

IUPAC4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(c2cccc3ccccc23)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc21
InChIInChI=1S/C62H43N/c1-62(58-28-12-19-44-16-4-7-22-55(44)58)59-27-9-8-23-57(59)61-56(26-13-29-60(61)62)47-34-40-50(41-35-47)63(48-36-30-45(31-37-48)53-24-10-17-42-14-2-5-20-51(42)53)49-38-32-46(33-39-49)54-25-11-18-43-15-3-6-21-52(43)54/h2-41H,1H3
InChIKeySPTRSDVQRKYRGA-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.95
Rot. Bonds7

About 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline

4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline (PubChem CID 169019865) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
PubChem CID169019865
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(c2cccc3ccccc23)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc21
InChIInChI=1S/C62H43N/c1-62(58-28-12-19-44-16-4-7-22-55(44)58)59-27-9-8-23-57(59)61-56(26-13-29-60(61)62)47-34-40-50(41-35-47)63(48-36-30-45(31-37-48)53-24-10-17-42-14-2-5-20-51(42)53)49-38-32-46(33-39-49)54-25-11-18-43-15-3-6-21-52(43)54/h2-41H,1H3
InChIKeySPTRSDVQRKYRGA-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019937
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 171453203
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775
3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019619
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 156524799
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312

Frequently Asked Questions

What is the IUPAC name of 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline (CID 169019865) is 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline is CC1(c2cccc3ccccc23)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cccc21.
What is the InChIKey of 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is SPTRSDVQRKYRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-62(58-28-12-19-44-16-4-7-22-55(44)58)59-27-9-8-23-57(59)61-56(26-13-29-60(61)62)47-34-40-50(41-35-47)63(48-36-30-45(31-37-48)53-24-10-17-42-14-2-5-20-51(42)53)49-38-32-46(33-39-49)54-25-11-18-43-15-3-6-21-52(43)54/h2-41H,1H3.
What are the key properties of 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 802.03 g/mol, XLogP of 16.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 169019865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).