N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine

C64H55N — CID 66694321

IUPACN-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCCC(CC)(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2c(c1)C(C)(C)c1cc(C(C)c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)ccc1-2
InChIInChI=1S/C64H55N/c1-6-64(7-2,53-31-34-56(35-32-53)65(55-20-9-8-10-21-55)62-23-15-19-45-17-13-14-22-57(45)62)54-33-37-59-58-36-30-47(41-60(58)63(4,5)61(59)42-54)43(3)46-25-27-51-40-52(29-28-49(51)38-46)50-26-24-44-16-11-12-18-48(44)39-50/h8-43H,6-7H2,1-5H3
InChIKeyHNONALJSRGUXHO-UHFFFAOYSA-N
MW838.15 g/mol
LogP17.85
Rot. Bonds10

About N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 66694321) has the molecular formula C64H55N and a molecular weight of 838.15 g/mol. Its IUPAC name is N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID66694321
Molecular FormulaC64H55N
Molecular Weight838.15 g/mol
Exact Mass837.43
IUPAC NameN-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCCC(CC)(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2c(c1)C(C)(C)c1cc(C(C)c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)ccc1-2
InChIInChI=1S/C64H55N/c1-6-64(7-2,53-31-34-56(35-32-53)65(55-20-9-8-10-21-55)62-23-15-19-45-17-13-14-22-57(45)62)54-33-37-59-58-36-30-47(41-60(58)63(4,5)61(59)42-54)43(3)46-25-27-51-40-52(29-28-49(51)38-46)50-26-24-44-16-11-12-18-48(44)39-50/h8-43H,6-7H2,1-5H3
InChIKeyHNONALJSRGUXHO-UHFFFAOYSA-N
XLogP17.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.15
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-1-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-2-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(3-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 157496502
9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine
CID 59282384
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 158564793
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159065491
9,9-dimethyl-7-N-naphthalen-1-yl-2-N,2-N-di(phenanthren-9-yl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-7-N-naphthalen-1-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-7-N-naphthalen-1-yl-2-N-(4-naphthalen-2-ylphenyl)-2-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-7-N-naphthalen-2-yl-2-N-phenyl-7-N-[4-(3-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-7-N-naphthalen-1-yl-2-N-phenanthren-9-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-7-N-naphthalen-1-yl-2-N-phenanthren-9-yl-7-N-phenyl-2-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162179845
9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221626
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 66694321) is N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine is CCC(CC)(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2c(c1)C(C)(C)c1cc(C(C)c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)ccc1-2.
What is the InChIKey of N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is HNONALJSRGUXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N/c1-6-64(7-2,53-31-34-56(35-32-53)65(55-20-9-8-10-21-55)62-23-15-19-45-17-13-14-22-57(45)62)54-33-37-59-58-36-30-47(41-60(58)63(4,5)61(59)42-54)43(3)46-25-27-51-40-52(29-28-49(51)38-46)50-26-24-44-16-11-12-18-48(44)39-50/h8-43H,6-7H2,1-5H3.
What are the key properties of N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 838.15 g/mol, XLogP of 17.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[9,9-dimethyl-7-[1-(6-naphthalen-2-ylnaphthalen-2-yl)ethyl]fluoren-2-yl]pentan-3-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 66694321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).