N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine

C44H29N3S — CID 146367309

IUPACN-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3c2c2c4ccccc4n(-c4ccccc4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C44H29N3S/c1-4-15-30(16-5-1)45(33-27-28-41-36(29-33)34-21-11-13-26-40(34)48-41)38-24-14-25-39-43(38)42-35-22-10-12-23-37(35)46(31-17-6-2-7-18-31)44(42)47(39)32-19-8-3-9-20-32/h1-29H
InChIKeyARCIAGDZZZGOFJ-UHFFFAOYSA-N
MW631.80 g/mol
LogP12.57
Rot. Bonds5

About N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine

N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine (PubChem CID 146367309) has the molecular formula C44H29N3S and a molecular weight of 631.80 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine
PubChem CID146367309
Molecular FormulaC44H29N3S
Molecular Weight631.80 g/mol
Exact Mass631.21
IUPAC NameN-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3c2c2c4ccccc4n(-c4ccccc4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C44H29N3S/c1-4-15-30(16-5-1)45(33-27-28-41-36(29-33)34-21-11-13-26-40(34)48-41)38-24-14-25-39-43(38)42-35-22-10-12-23-37(35)46(31-17-6-2-7-18-31)44(42)47(39)32-19-8-3-9-20-32/h1-29H
InChIKeyARCIAGDZZZGOFJ-UHFFFAOYSA-N
XLogP12.57
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.80
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-2-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-4-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N,5,6-triphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-4-amine
CID 161297522
6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine
CID 90377526
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 160812131
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170041989
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 163748630
N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166847673
N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
CID 167038184
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
CID 167227767

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine (CID 146367309) is N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3c2c2c4ccccc4n(-c4ccccc4)c2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine?
The InChIKey is ARCIAGDZZZGOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3S/c1-4-15-30(16-5-1)45(33-27-28-41-36(29-33)34-21-11-13-26-40(34)48-41)38-24-14-25-39-43(38)42-35-22-10-12-23-37(35)46(31-17-6-2-7-18-31)44(42)47(39)32-19-8-3-9-20-32/h1-29H.
What are the key properties of N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine?
N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine has a molecular weight of 631.80 g/mol, XLogP of 12.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine is sourced from PubChem (CID 146367309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).