N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine

C46H28N2S2 — CID 170042399

IUPACN-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc5c4sc4ccccc45)c4cc5ccccc5c5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/C46H28N2S2/c1-2-14-30(15-3-1)47-38-21-9-6-17-33(38)34-26-25-31(28-40(34)47)48(39-22-12-20-36-35-18-7-10-23-42(35)49-45(36)39)41-27-29-13-4-5-16-32(29)44-37-19-8-11-24-43(37)50-46(41)44/h1-28H
InChIKeyNPKCNQPOCHMKKC-UHFFFAOYSA-N
MW672.88 g/mol
LogP14.14
Rot. Bonds4

About N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine

N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine (PubChem CID 170042399) has the molecular formula C46H28N2S2 and a molecular weight of 672.88 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine
PubChem CID170042399
Molecular FormulaC46H28N2S2
Molecular Weight672.88 g/mol
Exact Mass672.17
IUPAC NameN-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc5c4sc4ccccc45)c4cc5ccccc5c5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/C46H28N2S2/c1-2-14-30(15-3-1)47-38-21-9-6-17-33(38)34-26-25-31(28-40(34)47)48(39-22-12-20-36-35-18-7-10-23-42(35)49-45(36)39)41-27-29-13-4-5-16-32(29)44-37-19-8-11-24-43(37)50-46(41)44/h1-28H
InChIKeyNPKCNQPOCHMKKC-UHFFFAOYSA-N
XLogP14.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine
CID 170042142
N-dibenzothiophen-4-yl-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357163
N-chrysen-5-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine
CID 170139006
N-(5-dibenzofuran-1-ylnaphthalen-1-yl)-N-dibenzothiophen-4-yl-9-phenylcarbazol-2-amine
CID 168814345
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine
CID 122578629
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168790820
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N,9-diphenyl-N-(9-thiahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)carbazol-1-amine
CID 164721719

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine (CID 170042399) is N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4cccc5c4sc4ccccc45)c4cc5ccccc5c5c4sc4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine?
The InChIKey is NPKCNQPOCHMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2S2/c1-2-14-30(15-3-1)47-38-21-9-6-17-33(38)34-26-25-31(28-40(34)47)48(39-22-12-20-36-35-18-7-10-23-42(35)49-45(36)39)41-27-29-13-4-5-16-32(29)44-37-19-8-11-24-43(37)50-46(41)44/h1-28H.
What are the key properties of N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine?
N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine has a molecular weight of 672.88 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170042399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).