N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine

C48H30N2S — CID 163689901

IUPACN-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
SMILESc1ccc2cc(-n3c4cc(N(c5ccc6sc7ccccc7c6c5)c5cccc6ccccc56)ccc4c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C48H30N2S/c1-2-12-33-26-36(21-20-31(33)10-1)50-45-28-35-14-4-3-13-34(35)27-42(45)40-24-22-38(30-46(40)50)49(44-18-9-15-32-11-5-6-16-39(32)44)37-23-25-48-43(29-37)41-17-7-8-19-47(41)51-48/h1-30H
InChIKeyJSBWKKRPIZCEDJ-UHFFFAOYSA-N
MW666.85 g/mol
LogP14.08
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine

N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine (PubChem CID 163689901) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
PubChem CID163689901
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC NameN-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
SMILESc1ccc2cc(-n3c4cc(N(c5ccc6sc7ccccc7c6c5)c5cccc6ccccc56)ccc4c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C48H30N2S/c1-2-12-33-26-36(21-20-31(33)10-1)50-45-28-35-14-4-3-13-34(35)27-42(45)40-24-22-38(30-46(40)50)49(44-18-9-15-32-11-5-6-16-39(32)44)37-23-25-48-43(29-37)41-17-7-8-19-47(41)51-48/h1-30H
InChIKeyJSBWKKRPIZCEDJ-UHFFFAOYSA-N
XLogP14.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine
CID 90372254
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 156521135
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
N-[4-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 160941057
2-N-dibenzothiophen-1-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-2-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-3-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 159922399
N-dibenzothiophen-3-yl-7-naphthalen-2-yl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847627
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine (CID 163689901) is N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine is c1ccc2cc(-n3c4cc(N(c5ccc6sc7ccccc7c6c5)c5cccc6ccccc56)ccc4c4cc5ccccc5cc43)ccc2c1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine?
The InChIKey is JSBWKKRPIZCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-12-33-26-36(21-20-31(33)10-1)50-45-28-35-14-4-3-13-34(35)27-42(45)40-24-22-38(30-46(40)50)49(44-18-9-15-32-11-5-6-16-39(32)44)37-23-25-48-43(29-37)41-17-7-8-19-47(41)51-48/h1-30H.
What are the key properties of N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine?
N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine has a molecular weight of 666.85 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine is sourced from PubChem (CID 163689901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).