N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

C63H45N — CID 167234954

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)cc3)c21
InChIInChI=1S/C63H45N/c1-63(2)60-30-10-9-24-57(60)59-29-14-27-55(62(59)63)46-33-38-49(39-34-46)64(48-36-31-45(32-37-48)52-25-11-18-42-15-3-6-21-50(42)52)61-41-47(54-26-12-19-43-16-4-7-22-51(43)54)35-40-58(61)56-28-13-20-44-17-5-8-23-53(44)56/h3-41H,1-2H3
InChIKeyOSQOSTBFUBBMNM-UHFFFAOYSA-N
MW816.06 g/mol
LogP17.59
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167234954) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167234954
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)cc3)c21
InChIInChI=1S/C63H45N/c1-63(2)60-30-10-9-24-57(60)59-29-14-27-55(62(59)63)46-33-38-49(39-34-46)64(48-36-31-45(32-37-48)52-25-11-18-42-15-3-6-21-50(42)52)61-41-47(54-26-12-19-43-16-4-7-22-51(43)54)35-40-58(61)56-28-13-20-44-17-5-8-23-53(44)56/h3-41H,1-2H3
InChIKeyOSQOSTBFUBBMNM-UHFFFAOYSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167234037
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-2-amine
CID 167236302
N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine
CID 177294607
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-phenanthren-9-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167234117
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)aniline
CID 170215708
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
CID 170215462
2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326460
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 167233788

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 167234954) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is OSQOSTBFUBBMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-63(2)60-30-10-9-24-57(60)59-29-14-27-55(62(59)63)46-33-38-49(39-34-46)64(48-36-31-45(32-37-48)52-25-11-18-42-15-3-6-21-50(42)52)61-41-47(54-26-12-19-43-16-4-7-22-51(43)54)35-40-58(61)56-28-13-20-44-17-5-8-23-53(44)56/h3-41H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 816.06 g/mol, XLogP of 17.59, 7 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-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167234954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).