N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine

C46H28N2OS — CID 170033935

IUPACN-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4ccc5c(c4)sc4ccccc45)cc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-10-30(11-3-1)48-40-15-7-4-12-35(40)36-23-20-32(27-41(36)48)47(33-21-24-38-37-13-6-9-17-44(37)50-45(38)28-33)31-19-22-34-29(26-31)18-25-43-46(34)39-14-5-8-16-42(39)49-43/h1-28H
InChIKeyLKYWXSCTOGPRTF-UHFFFAOYSA-N
MW656.81 g/mol
LogP13.67
Rot. Bonds4

About N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine

N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine (PubChem CID 170033935) has the molecular formula C46H28N2OS and a molecular weight of 656.81 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
PubChem CID170033935
Molecular FormulaC46H28N2OS
Molecular Weight656.81 g/mol
Exact Mass656.19
IUPAC NameN-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4ccc5c(c4)sc4ccccc45)cc32)cc1
InChIInChI=1S/C46H28N2OS/c1-2-10-30(11-3-1)48-40-15-7-4-12-35(40)36-23-20-32(27-41(36)48)47(33-21-24-38-37-13-6-9-17-44(37)50-45(38)28-33)31-19-22-34-29(26-31)18-25-43-46(34)39-14-5-8-16-42(39)49-43/h1-28H
InChIKeyLKYWXSCTOGPRTF-UHFFFAOYSA-N
XLogP13.67
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-3-yl-N,22-diphenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-amine
CID 140918097
N-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
7-carbazol-9-yl-N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 168803972
N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 168814654
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
N-phenyl-N-[3-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
CID 126621599
N-chrysen-3-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138584
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041506
N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033858

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine (CID 170033935) is N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4ccc5c(c4)sc4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The InChIKey is LKYWXSCTOGPRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS/c1-2-10-30(11-3-1)48-40-15-7-4-12-35(40)36-23-20-32(27-41(36)48)47(33-21-24-38-37-13-6-9-17-44(37)50-45(38)28-33)31-19-22-34-29(26-31)18-25-43-46(34)39-14-5-8-16-42(39)49-43/h1-28H.
What are the key properties of N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine has a molecular weight of 656.81 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170033935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).