N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine

C55H38N2S — CID 177122054

IUPACN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4sc4c6ccccc6ccc54)c3)cccc21
InChIInChI=1S/C55H38N2S/c1-55(2)47-25-10-8-22-45(47)52-40(23-13-26-48(52)55)36-16-12-19-38(33-36)56(51-28-14-24-43-44-31-29-35-15-6-7-20-41(35)53(44)58-54(43)51)39-30-32-50-46(34-39)42-21-9-11-27-49(42)57(50)37-17-4-3-5-18-37/h3-34H,1-2H3
InChIKeyIFIHFAVAZQIENL-UHFFFAOYSA-N
MW758.99 g/mol
LogP15.75
Rot. Bonds5

About N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine

N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine (PubChem CID 177122054) has the molecular formula C55H38N2S and a molecular weight of 758.99 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine
PubChem CID177122054
Molecular FormulaC55H38N2S
Molecular Weight758.99 g/mol
Exact Mass758.28
IUPAC NameN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4sc4c6ccccc6ccc54)c3)cccc21
InChIInChI=1S/C55H38N2S/c1-55(2)47-25-10-8-22-45(47)52-40(23-13-26-48(52)55)36-16-12-19-38(33-36)56(51-28-14-24-43-44-31-29-35-15-6-7-20-41(35)53(44)58-54(43)51)39-30-32-50-46(34-39)42-21-9-11-27-49(42)57(50)37-17-4-3-5-18-37/h3-34H,1-2H3
InChIKeyIFIHFAVAZQIENL-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.99
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine
CID 177122073
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine
CID 177122369
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790440
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
CID 177122158
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160959484

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine (CID 177122054) is N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4sc4c6ccccc6ccc54)c3)cccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine?
The InChIKey is IFIHFAVAZQIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2S/c1-55(2)47-25-10-8-22-45(47)52-40(23-13-26-48(52)55)36-16-12-19-38(33-36)56(51-28-14-24-43-44-31-29-35-15-6-7-20-41(35)53(44)58-54(43)51)39-30-32-50-46(34-39)42-21-9-11-27-49(42)57(50)37-17-4-3-5-18-37/h3-34H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine?
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine has a molecular weight of 758.99 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 177122054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).