N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

C71H48N6O2S — CID 90196609

IUPACN-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-n3c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)sc6ccccc67)cc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C71H48N6O2S/c1-78-55-35-25-48(26-36-55)69-72-70(49-27-37-56(79-2)38-28-49)74-71(73-69)77-64-40-29-50(41-60(64)62-44-65-61(43-66(62)77)57-17-9-11-19-63(57)76(65)51-15-7-4-8-16-51)47-23-32-53(33-24-47)75(52-30-21-46(22-31-52)45-13-5-3-6-14-45)54-34-39-59-58-18-10-12-20-67(58)80-68(59)42-54/h3-44H,1-2H3
InChIKeyNOZVKUQRDMUACZ-UHFFFAOYSA-N
MW1049.27 g/mol
LogP18.59
Rot. Bonds11

About N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 90196609) has the molecular formula C71H48N6O2S and a molecular weight of 1049.27 g/mol. Its IUPAC name is N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID90196609
Molecular FormulaC71H48N6O2S
Molecular Weight1049.27 g/mol
Exact Mass1048.36
IUPAC NameN-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-n3c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)sc6ccccc67)cc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C71H48N6O2S/c1-78-55-35-25-48(26-36-55)69-72-70(49-27-37-56(79-2)38-28-49)74-71(73-69)77-64-40-29-50(41-60(64)62-44-65-61(43-66(62)77)57-17-9-11-19-63(57)76(65)51-15-7-4-8-16-51)47-23-32-53(33-24-47)75(52-30-21-46(22-31-52)45-13-5-3-6-14-45)54-34-39-59-58-18-10-12-20-67(58)80-68(59)42-54/h3-44H,1-2H3
InChIKeyNOZVKUQRDMUACZ-UHFFFAOYSA-N
XLogP18.59
TPSA70.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.27
LogP ≤ 518.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 90196609) is N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-n3c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)sc6ccccc67)cc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is NOZVKUQRDMUACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N6O2S/c1-78-55-35-25-48(26-36-55)69-72-70(49-27-37-56(79-2)38-28-49)74-71(73-69)77-64-40-29-50(41-60(64)62-44-65-61(43-66(62)77)57-17-9-11-19-63(57)76(65)51-15-7-4-8-16-51)47-23-32-53(33-24-47)75(52-30-21-46(22-31-52)45-13-5-3-6-14-45)54-34-39-59-58-18-10-12-20-67(58)80-68(59)42-54/h3-44H,1-2H3.
What are the key properties of N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 1049.27 g/mol, XLogP of 18.59, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 90196609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).