N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine

C63H42N2OS — CID 126702856

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6cccc7sc8ccccc8c67)cc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C63H42N2OS/c1-63(2)53-21-9-6-16-46(53)50-37-52-51-36-41(30-35-55(51)65(57(52)38-54(50)63)42-14-4-3-5-15-42)39-26-31-43(32-27-39)64(56-22-13-25-60-61(56)49-18-8-11-24-59(49)67-60)44-33-28-40(29-34-44)45-19-12-20-48-47-17-7-10-23-58(47)66-62(45)48/h3-38H,1-2H3
InChIKeyBUPANSKNMJSFEL-UHFFFAOYSA-N
MW875.11 g/mol
LogP18.16
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 126702856) has the molecular formula C63H42N2OS and a molecular weight of 875.11 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine
PubChem CID126702856
Molecular FormulaC63H42N2OS
Molecular Weight875.11 g/mol
Exact Mass874.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6cccc7sc8ccccc8c67)cc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C63H42N2OS/c1-63(2)53-21-9-6-16-46(53)50-37-52-51-36-41(30-35-55(51)65(57(52)38-54(50)63)42-14-4-3-5-15-42)39-26-31-43(32-27-39)64(56-22-13-25-60-61(56)49-18-8-11-24-59(49)67-60)44-33-28-40(29-34-44)45-19-12-20-48-47-17-7-10-23-58(47)66-62(45)48/h3-38H,1-2H3
InChIKeyBUPANSKNMJSFEL-UHFFFAOYSA-N
XLogP18.16
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.11
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 166003188
N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 126702847
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-2-amine
CID 158402142
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 157256089
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158039277
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 160893583
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 158985541
N-(4-dibenzothiophen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805112
11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161290833

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine (CID 126702856) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6cccc7sc8ccccc8c67)cc5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is BUPANSKNMJSFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2OS/c1-63(2)53-21-9-6-16-46(53)50-37-52-51-36-41(30-35-55(51)65(57(52)38-54(50)63)42-14-4-3-5-15-42)39-26-31-43(32-27-39)64(56-22-13-25-60-61(56)49-18-8-11-24-59(49)67-60)44-33-28-40(29-34-44)45-19-12-20-48-47-17-7-10-23-58(47)66-62(45)48/h3-38H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 875.11 g/mol, XLogP of 18.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 126702856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).