N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine

C52H41N — CID 170215574

IUPACN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C52H41N/c1-51(2)45-26-10-7-22-41(45)43-31-30-36(33-47(43)51)40-21-9-12-28-48(40)53(49-29-15-25-44-42-23-8-11-27-46(42)52(3,4)50(44)49)37-19-13-18-35(32-37)39-24-14-17-34-16-5-6-20-38(34)39/h5-33H,1-4H3
InChIKeyYGUWZZVNVUXBOG-UHFFFAOYSA-N
MW679.91 g/mol
LogP14.26
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine (PubChem CID 170215574) has the molecular formula C52H41N and a molecular weight of 679.91 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
PubChem CID170215574
Molecular FormulaC52H41N
Molecular Weight679.91 g/mol
Exact Mass679.32
IUPAC NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C52H41N/c1-51(2)45-26-10-7-22-41(45)43-31-30-36(33-47(43)51)40-21-9-12-28-48(40)53(49-29-15-25-44-42-23-8-11-27-46(42)52(3,4)50(44)49)37-19-13-18-35(32-37)39-24-14-17-34-16-5-6-20-38(34)39/h5-33H,1-4H3
InChIKeyYGUWZZVNVUXBOG-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472
2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170217562
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
CID 170216761
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170216259
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-1-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-1-amine;N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 163744391

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine (CID 170215574) is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine?
The InChIKey is YGUWZZVNVUXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N/c1-51(2)45-26-10-7-22-41(45)43-31-30-36(33-47(43)51)40-21-9-12-28-48(40)53(49-29-15-25-44-42-23-8-11-27-46(42)52(3,4)50(44)49)37-19-13-18-35(32-37)39-24-14-17-34-16-5-6-20-38(34)39/h5-33H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine?
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine has a molecular weight of 679.91 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine is sourced from PubChem (CID 170215574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).