N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine

C54H45N — CID 155181750

IUPACN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine
SMILESCc1ccc(-c2cc(C)c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(C)C)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C54H45N/c1-34-25-27-36(28-26-34)38-31-35(2)52(45(32-38)41-20-13-16-37-15-7-8-17-40(37)41)55(39-29-30-43-42-18-9-11-21-46(42)54(5,6)49(43)33-39)50-24-14-23-48-51(50)44-19-10-12-22-47(44)53(48,3)4/h7-33H,1-6H3
InChIKeyKUSQLNPMOWQEJS-UHFFFAOYSA-N
MW707.96 g/mol
LogP14.87
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine (PubChem CID 155181750) has the molecular formula C54H45N and a molecular weight of 707.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine
PubChem CID155181750
Molecular FormulaC54H45N
Molecular Weight707.96 g/mol
Exact Mass707.36
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine
SMILESCc1ccc(-c2cc(C)c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(C)C)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C54H45N/c1-34-25-27-36(28-26-34)38-31-35(2)52(45(32-38)41-20-13-16-37-15-7-8-17-40(37)41)55(39-29-30-43-42-18-9-11-21-46(42)54(5,6)49(43)33-39)50-24-14-23-48-51(50)44-19-10-12-22-47(44)53(48,3)4/h7-33H,1-6H3
InChIKeyKUSQLNPMOWQEJS-UHFFFAOYSA-N
XLogP14.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.96
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 155623469
N-[2,6-bis(2-methylphenyl)-4-naphthalen-2-ylphenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-naphthalen-2-ylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-1-yl-4-naphthalen-2-ylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-1-yl-4-naphthalen-2-yl-6-phenylphenyl)fluoren-2-amine
CID 162226630
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-1-ylphenyl]fluoren-2-amine
CID 146579363
10-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]-N-(4-methylphenyl)-N-naphthalen-1-ylanthracen-9-amine
CID 59221647
9,9-dimethyl-N-(4-naphthalen-1-yl-2,6-diphenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 155181943
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121323104
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-2-ylphenyl]fluoren-2-amine
CID 155181809
9,9-dimethyl-N-(4-naphthalen-2-yl-2,6-diphenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(2-naphthalen-1-yl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 157277609
9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155221158
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181614
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylphenyl)fluoren-2-amine
CID 146579364
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181916

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine (CID 155181750) is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine is Cc1ccc(-c2cc(C)c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(C)C)c(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine?
The InChIKey is KUSQLNPMOWQEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N/c1-34-25-27-36(28-26-34)38-31-35(2)52(45(32-38)41-20-13-16-37-15-7-8-17-40(37)41)55(39-29-30-43-42-18-9-11-21-46(42)54(5,6)49(43)33-39)50-24-14-23-48-51(50)44-19-10-12-22-47(44)53(48,3)4/h7-33H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine has a molecular weight of 707.96 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine is sourced from PubChem (CID 155181750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).