N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine

C43H31NSe — CID 171445719

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c6ccccc6[se]c5c4c3)cccc21
InChIInChI=1S/C43H31NSe/c1-43(2)37-15-8-6-14-35(37)41-38(43)16-10-17-39(41)44(31-23-19-29(20-24-31)28-11-4-3-5-12-28)32-25-21-30-22-26-34-33-13-7-9-18-40(33)45-42(34)36(30)27-32/h3-27H,1-2H3
InChIKeyUOOWBOXZCJFLQO-UHFFFAOYSA-N
MW640.69 g/mol
LogP11.65
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine (PubChem CID 171445719) has the molecular formula C43H31NSe and a molecular weight of 640.69 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
PubChem CID171445719
Molecular FormulaC43H31NSe
Molecular Weight640.69 g/mol
Exact Mass641.16
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c6ccccc6[se]c5c4c3)cccc21
InChIInChI=1S/C43H31NSe/c1-43(2)37-15-8-6-14-35(37)41-38(43)16-10-17-39(41)44(31-23-19-29(20-24-31)28-11-4-3-5-12-28)32-25-21-30-22-26-34-33-13-7-9-18-40(33)45-42(34)36(30)27-32/h3-27H,1-2H3
InChIKeyUOOWBOXZCJFLQO-UHFFFAOYSA-N
XLogP11.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.69
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445640
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dimethyl-N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789148
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445512
9,9-dimethyl-N-(4-naphthalen-1-yl-2,6-diphenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 155181943

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine (CID 171445719) is N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c6ccccc6[se]c5c4c3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine?
The InChIKey is UOOWBOXZCJFLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NSe/c1-43(2)37-15-8-6-14-35(37)41-38(43)16-10-17-39(41)44(31-23-19-29(20-24-31)28-11-4-3-5-12-28)32-25-21-30-22-26-34-33-13-7-9-18-40(33)45-42(34)36(30)27-32/h3-27H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine has a molecular weight of 640.69 g/mol, XLogP of 11.65, 4 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)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine is sourced from PubChem (CID 171445719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).