9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine

C53H39N — CID 170417859

IUPAC9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3cc4ccccc4cc3-c3cccc4ccccc34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C53H39N/c1-53(2)49-29-16-27-43(37-17-5-3-6-18-37)52(49)46-32-31-41(35-50(46)53)54(40-23-7-4-8-24-40)51-30-14-13-26-45(51)48-34-39-21-10-9-20-38(39)33-47(48)44-28-15-22-36-19-11-12-25-42(36)44/h3-35H,1-2H3
InChIKeyXQZADNKXPVOVGP-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine

9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine (PubChem CID 170417859) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
PubChem CID170417859
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC Name9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3cc4ccccc4cc3-c3cccc4ccccc34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C53H39N/c1-53(2)49-29-16-27-43(37-17-5-3-6-18-37)52(49)46-32-31-41(35-50(46)53)54(40-23-7-4-8-24-40)51-30-14-13-26-45(51)48-34-39-21-10-9-20-38(39)33-47(48)44-28-15-22-36-19-11-12-25-42(36)44/h3-35H,1-2H3
InChIKeyXQZADNKXPVOVGP-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417724
9,9-dimethyl-5-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417762
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine
CID 170529453
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
9,9-dimethyl-N,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792
9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 169039673
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine (CID 170417859) is 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3cc4ccccc4cc3-c3cccc4ccccc34)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine?
The InChIKey is XQZADNKXPVOVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)49-29-16-27-43(37-17-5-3-6-18-37)52(49)46-32-31-41(35-50(46)53)54(40-23-7-4-8-24-40)51-30-14-13-26-45(51)48-34-39-21-10-9-20-38(39)33-47(48)44-28-15-22-36-19-11-12-25-42(36)44/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine?
9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine is sourced from PubChem (CID 170417859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).