N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine

C52H32N2OS — CID 168814654

IUPACN-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5cc(-c6ccc7c(c6)sc6ccccc67)ccc5c4)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C52H32N2OS/c1-2-11-37(12-3-1)54-45-16-7-4-13-40(45)41-28-26-39(32-47(41)54)53(46-17-10-19-49-52(46)44-15-5-8-18-48(44)55-49)38-25-23-34-29-33(21-22-35(34)30-38)36-24-27-43-42-14-6-9-20-50(42)56-51(43)31-36/h1-32H
InChIKeyGQSSNJCGUXQQFR-UHFFFAOYSA-N
MW732.91 g/mol
LogP15.34
Rot. Bonds5

About N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine

N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine (PubChem CID 168814654) has the molecular formula C52H32N2OS and a molecular weight of 732.91 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
PubChem CID168814654
Molecular FormulaC52H32N2OS
Molecular Weight732.91 g/mol
Exact Mass732.22
IUPAC NameN-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5cc(-c6ccc7c(c6)sc6ccccc67)ccc5c4)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C52H32N2OS/c1-2-11-37(12-3-1)54-45-16-7-4-13-40(45)41-28-26-39(32-47(41)54)53(46-17-10-19-49-52(46)44-15-5-8-18-48(44)55-49)38-25-23-34-29-33(21-22-35(34)30-38)36-24-27-43-42-14-6-9-20-50(42)56-51(43)31-36/h1-32H
InChIKeyGQSSNJCGUXQQFR-UHFFFAOYSA-N
XLogP15.34
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-carbazol-9-yl-N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 168803972
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
CID 170041494
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033935
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
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-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine (CID 168814654) is N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5cc(-c6ccc7c(c6)sc6ccccc67)ccc5c4)c4cccc5oc6ccccc6c45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine?
The InChIKey is GQSSNJCGUXQQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS/c1-2-11-37(12-3-1)54-45-16-7-4-13-40(45)41-28-26-39(32-47(41)54)53(46-17-10-19-49-52(46)44-15-5-8-18-48(44)55-49)38-25-23-34-29-33(21-22-35(34)30-38)36-24-27-43-42-14-6-9-20-50(42)56-51(43)31-36/h1-32H.
What are the key properties of N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine?
N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine has a molecular weight of 732.91 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 168814654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).