N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine

C48H30N2OS — CID 122462840

IUPACN-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(34-24-26-47-41(28-34)39-19-9-12-22-46(39)52-47)35-29-40(48-42(30-35)38-18-8-11-21-45(38)51-48)31-23-25-37-36-17-7-10-20-43(36)50(44(37)27-31)33-15-5-2-6-16-33/h1-30H
InChIKeyDLOZDQWUDQXVAP-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

About N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine

N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine (PubChem CID 122462840) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
PubChem CID122462840
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC NameN-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(34-24-26-47-41(28-34)39-19-9-12-22-46(39)52-47)35-29-40(48-42(30-35)38-18-8-11-21-45(38)51-48)31-23-25-37-36-17-7-10-20-43(36)50(44(37)27-31)33-15-5-2-6-16-33/h1-30H
InChIKeyDLOZDQWUDQXVAP-UHFFFAOYSA-N
XLogP14.19
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-diphenyldibenzofuran-2-amine;N,N-diphenyl-4-(9-phenylcarbazol-3-yl)dibenzofuran-2-amine
CID 159548783
4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 157317225
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 176608780
4-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 161031822
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
CID 176608109
4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline
CID 134252380
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine (CID 122462840) is N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine?
The InChIKey is DLOZDQWUDQXVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-3-13-32(14-4-1)49(34-24-26-47-41(28-34)39-19-9-12-22-46(39)52-47)35-29-40(48-42(30-35)38-18-8-11-21-45(38)51-48)31-23-25-37-36-17-7-10-20-43(36)50(44(37)27-31)33-15-5-2-6-16-33/h1-30H.
What are the key properties of N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine?
N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine has a molecular weight of 682.85 g/mol, XLogP of 14.19, 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-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 122462840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).