6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine

C62H43N — CID 169019937

IUPAC6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)ccc4c3)cccc21
InChIInChI=1S/C62H43N/c1-62(49-18-3-2-4-19-49)59-26-10-9-22-58(59)61-57(25-13-27-60(61)62)48-29-28-47-41-52(39-34-46(47)40-48)63(50-35-30-44(31-36-50)55-23-11-16-42-14-5-7-20-53(42)55)51-37-32-45(33-38-51)56-24-12-17-43-15-6-8-21-54(43)56/h2-41H,1H3
InChIKeyQNDJZGWGVWYLJT-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.95
Rot. Bonds7

About 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine

6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine (PubChem CID 169019937) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
PubChem CID169019937
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)ccc4c3)cccc21
InChIInChI=1S/C62H43N/c1-62(49-18-3-2-4-19-49)59-26-10-9-22-58(59)61-57(25-13-27-60(61)62)48-29-28-47-41-52(39-34-46(47)40-48)63(50-35-30-44(31-36-50)55-23-11-16-42-14-5-7-20-53(42)55)51-37-32-45(33-38-51)56-24-12-17-43-15-6-8-21-54(43)56/h2-41H,1H3
InChIKeyQNDJZGWGVWYLJT-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

N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
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-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)-9,9-diphenylfluoren-2-amine
CID 171453203
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
3-[9-methyl-9-[4-[3-[2-[4-[N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]fluoren-4-yl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170114098
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020514
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
4-(9-methyl-9-naphthalen-1-ylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019865
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113

Frequently Asked Questions

What is the IUPAC name of 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The IUPAC name of 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine (CID 169019937) is 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)ccc4c3)cccc21.
What is the InChIKey of 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The InChIKey is QNDJZGWGVWYLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-62(49-18-3-2-4-19-49)59-26-10-9-22-58(59)61-57(25-13-27-60(61)62)48-29-28-47-41-52(39-34-46(47)40-48)63(50-35-30-44(31-36-50)55-23-11-16-42-14-5-7-20-53(42)55)51-37-32-45(33-38-51)56-24-12-17-43-15-6-8-21-54(43)56/h2-41H,1H3.
What are the key properties of 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine 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 6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 169019937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).