N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine

C45H35NS — CID 155221049

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
SMILESCc1cc(-c2ccc3ccccc3c2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C45H35NS/c1-28-23-33(32-18-17-30-11-5-6-12-31(30)25-32)24-29(2)44(28)46(35-20-22-39-38-14-8-10-16-42(38)47-43(39)27-35)34-19-21-37-36-13-7-9-15-40(36)45(3,4)41(37)26-34/h5-27H,1-4H3
InChIKeyXKVNYCMPCHONQH-UHFFFAOYSA-N
MW621.85 g/mol
LogP13.27
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine (PubChem CID 155221049) has the molecular formula C45H35NS and a molecular weight of 621.85 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
PubChem CID155221049
Molecular FormulaC45H35NS
Molecular Weight621.85 g/mol
Exact Mass621.25
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
SMILESCc1cc(-c2ccc3ccccc3c2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C45H35NS/c1-28-23-33(32-18-17-30-11-5-6-12-31(30)25-32)24-29(2)44(28)46(35-20-22-39-38-14-8-10-16-42(38)47-43(39)27-35)34-19-21-37-36-13-7-9-15-40(36)45(3,4)41(37)26-34/h5-27H,1-4H3
InChIKeyXKVNYCMPCHONQH-UHFFFAOYSA-N
XLogP13.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.85
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
CID 155220976
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043365
N-(4-chrysen-6-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-amine
CID 170675872
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170042861
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine
CID 146437002
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-9-amine
CID 146491380
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)dibenzothiophen-3-amine
CID 168807446
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 166565755
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464879

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine (CID 155221049) is N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine is Cc1cc(-c2ccc3ccccc3c2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is XKVNYCMPCHONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35NS/c1-28-23-33(32-18-17-30-11-5-6-12-31(30)25-32)24-29(2)44(28)46(35-20-22-39-38-14-8-10-16-42(38)47-43(39)27-35)34-19-21-37-36-13-7-9-15-40(36)45(3,4)41(37)26-34/h5-27H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 621.85 g/mol, XLogP of 13.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 155221049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).