N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine

C88H54N8OS — CID 139390955

IUPACN-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4cnc5ncc(-n6c7ccccc7c7cccc(-c8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8)c76)cc5c4)cc4c5ccccc5n(-c5cnc6ncccc6c5)c34)cc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C88H54N8OS/c1-3-19-61(20-4-1)93(65-43-44-83-76(51-65)72-26-10-14-34-82(72)98-83)63-39-37-56(38-40-63)75-49-58(50-77-70-24-8-12-31-79(70)96(85(75)77)66-47-57-18-17-45-89-87(57)91-53-66)60-46-59-48-67(54-92-88(59)90-52-60)95-78-30-11-7-23-69(78)73-28-15-27-68(84(73)95)55-35-41-64(42-36-55)94(62-21-5-2-6-22-62)80-32-16-29-74-71-25-9-13-33-81(71)97-86(74)80/h1-54H
InChIKeyCXIOYGBLUPJTQG-UHFFFAOYSA-N
MW1271.52 g/mol
LogP23.98
Rot. Bonds11

About N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine

N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 139390955) has the molecular formula C88H54N8OS and a molecular weight of 1271.52 g/mol. Its IUPAC name is N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID139390955
Molecular FormulaC88H54N8OS
Molecular Weight1271.52 g/mol
Exact Mass1270.41
IUPAC NameN-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4cnc5ncc(-n6c7ccccc7c7cccc(-c8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8)c76)cc5c4)cc4c5ccccc5n(-c5cnc6ncccc6c5)c34)cc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C88H54N8OS/c1-3-19-61(20-4-1)93(65-43-44-83-76(51-65)72-26-10-14-34-82(72)98-83)63-39-37-56(38-40-63)75-49-58(50-77-70-24-8-12-31-79(70)96(85(75)77)66-47-57-18-17-45-89-87(57)91-53-66)60-46-59-48-67(54-92-88(59)90-52-60)95-78-30-11-7-23-69(78)73-28-15-27-68(84(73)95)55-35-41-64(42-36-55)94(62-21-5-2-6-22-62)80-32-16-29-74-71-25-9-13-33-81(71)97-86(74)80/h1-54H
InChIKeyCXIOYGBLUPJTQG-UHFFFAOYSA-N
XLogP23.98
TPSA81.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001271.52
LogP ≤ 523.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 139390955) is N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc(-c3cc(-c4cnc5ncc(-n6c7ccccc7c7cccc(-c8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8)c76)cc5c4)cc4c5ccccc5n(-c5cnc6ncccc6c5)c34)cc2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is CXIOYGBLUPJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H54N8OS/c1-3-19-61(20-4-1)93(65-43-44-83-76(51-65)72-26-10-14-34-82(72)98-83)63-39-37-56(38-40-63)75-49-58(50-77-70-24-8-12-31-79(70)96(85(75)77)66-47-57-18-17-45-89-87(57)91-53-66)60-46-59-48-67(54-92-88(59)90-52-60)95-78-30-11-7-23-69(78)73-28-15-27-68(84(73)95)55-35-41-64(42-36-55)94(62-21-5-2-6-22-62)80-32-16-29-74-71-25-9-13-33-81(71)97-86(74)80/h1-54H.
What are the key properties of N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1271.52 g/mol, XLogP of 23.98, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-3-yl)carbazol-3-yl]-1,8-naphthyridin-3-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 139390955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).