N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine

C89H55N5OS2 — CID 129178303

IUPACN-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c6cc(-c7ccc(N(c8ccc9c(c8)sc8cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc89)c8ccccn8)cc7)ccc6n(-c6ccccc6)c5c4)ccc23)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C89H55N5OS2/c1-4-16-62(17-5-1)91(67-37-44-76-74-23-11-13-25-85(74)96-87(76)54-67)66-36-43-73-72-41-31-60(51-83(72)95-84(73)53-66)58-30-40-71-78-48-57(33-46-80(78)94(82(71)49-58)64-20-8-3-9-21-64)56-27-34-65(35-28-56)92(89-26-14-15-47-90-89)68-38-45-77-75-42-32-61(52-86(75)97-88(77)55-68)59-29-39-70-69-22-10-12-24-79(69)93(81(70)50-59)63-18-6-2-7-19-63/h1-55H
InChIKeyGAIMCEHVXBAFGR-UHFFFAOYSA-N
MW1274.59 g/mol
LogP25.85
Rot. Bonds11

About N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine

N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine (PubChem CID 129178303) has the molecular formula C89H55N5OS2 and a molecular weight of 1274.59 g/mol. Its IUPAC name is N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine
PubChem CID129178303
Molecular FormulaC89H55N5OS2
Molecular Weight1274.59 g/mol
Exact Mass1273.38
IUPAC NameN-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c6cc(-c7ccc(N(c8ccc9c(c8)sc8cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc89)c8ccccn8)cc7)ccc6n(-c6ccccc6)c5c4)ccc23)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C89H55N5OS2/c1-4-16-62(17-5-1)91(67-37-44-76-74-23-11-13-25-85(74)96-87(76)54-67)66-36-43-73-72-41-31-60(51-83(72)95-84(73)53-66)58-30-40-71-78-48-57(33-46-80(78)94(82(71)49-58)64-20-8-3-9-21-64)56-27-34-65(35-28-56)92(89-26-14-15-47-90-89)68-38-45-77-75-42-32-61(52-86(75)97-88(77)55-68)59-29-39-70-69-22-10-12-24-79(69)93(81(70)50-59)63-18-6-2-7-19-63/h1-55H
InChIKeyGAIMCEHVXBAFGR-UHFFFAOYSA-N
XLogP25.85
TPSA42.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001274.59
LogP ≤ 525.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine?
The IUPAC name of N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine (CID 129178303) is N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine?
The canonical SMILES for N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine is c1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c6cc(-c7ccc(N(c8ccc9c(c8)sc8cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc89)c8ccccn8)cc7)ccc6n(-c6ccccc6)c5c4)ccc23)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine?
The InChIKey is GAIMCEHVXBAFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H55N5OS2/c1-4-16-62(17-5-1)91(67-37-44-76-74-23-11-13-25-85(74)96-87(76)54-67)66-36-43-73-72-41-31-60(51-83(72)95-84(73)53-66)58-30-40-71-78-48-57(33-46-80(78)94(82(71)49-58)64-20-8-3-9-21-64)56-27-34-65(35-28-56)92(89-26-14-15-47-90-89)68-38-45-77-75-42-32-61(52-86(75)97-88(77)55-68)59-29-39-70-69-22-10-12-24-79(69)93(81(70)50-59)63-18-6-2-7-19-63/h1-55H.
What are the key properties of N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine?
N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine has a molecular weight of 1274.59 g/mol, XLogP of 25.85, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[7-(N-dibenzothiophen-3-ylanilino)dibenzofuran-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[7-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]pyridin-2-amine is sourced from PubChem (CID 129178303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).