N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine

C53H37NS — CID 177113961

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc21
InChIInChI=1S/C53H37NS/c1-53(2)47-14-7-5-13-45(47)52-48(53)15-9-16-49(52)54(43-28-29-51-46(33-43)44-12-6-8-17-50(44)55-51)42-26-24-35(25-27-42)38-21-19-36-20-23-40(32-41(36)31-38)39-22-18-34-10-3-4-11-37(34)30-39/h3-33H,1-2H3
InChIKeySSHYMZAUINMAJR-UHFFFAOYSA-N
MW719.95 g/mol
LogP15.47
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 177113961) has the molecular formula C53H37NS and a molecular weight of 719.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
PubChem CID177113961
Molecular FormulaC53H37NS
Molecular Weight719.95 g/mol
Exact Mass719.26
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc21
InChIInChI=1S/C53H37NS/c1-53(2)47-14-7-5-13-45(47)52-48(53)15-9-16-49(52)54(43-28-29-51-46(33-43)44-12-6-8-17-50(44)55-51)42-26-24-35(25-27-42)38-21-19-36-20-23-40(32-41(36)31-38)39-22-18-34-10-3-4-11-37(34)30-39/h3-33H,1-2H3
InChIKeySSHYMZAUINMAJR-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.95
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043131
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
N-benzo[g]phenanthren-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-amine
CID 167184480
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326456
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043081
9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043087

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine (CID 177113961) is N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is SSHYMZAUINMAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NS/c1-53(2)47-14-7-5-13-45(47)52-48(53)15-9-16-49(52)54(43-28-29-51-46(33-43)44-12-6-8-17-50(44)55-51)42-26-24-35(25-27-42)38-21-19-36-20-23-40(32-41(36)31-38)39-22-18-34-10-3-4-11-37(34)30-39/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 719.95 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 177113961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).