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

C88H54N8OS — CID 139390946

IUPACN-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4cnc5nc(-n6c7ccccc7c7cccc(-c8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8)c76)ccc5c4)cc4c5ccccc5n(-c5ccc6cccnc6n5)c34)cc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C88H54N8OS/c1-3-19-61(20-4-1)93(65-45-46-81-74(53-65)70-26-10-14-34-80(70)98-81)63-41-37-56(38-42-63)73-51-59(52-75-68-24-8-12-31-77(68)96(85(73)75)82-47-39-57-18-17-49-89-87(57)91-82)60-50-58-40-48-83(92-88(58)90-54-60)95-76-30-11-7-23-67(76)71-28-15-27-66(84(71)95)55-35-43-64(44-36-55)94(62-21-5-2-6-22-62)78-32-16-29-72-69-25-9-13-33-79(69)97-86(72)78/h1-54H
InChIKeyBCCIJBSHHFAMNK-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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine

N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 139390946) 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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID139390946
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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4cnc5nc(-n6c7ccccc7c7cccc(-c8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8)c76)ccc5c4)cc4c5ccccc5n(-c5ccc6cccnc6n5)c34)cc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C88H54N8OS/c1-3-19-61(20-4-1)93(65-45-46-81-74(53-65)70-26-10-14-34-80(70)98-81)63-41-37-56(38-42-63)73-51-59(52-75-68-24-8-12-31-77(68)96(85(73)75)82-47-39-57-18-17-49-89-87(57)91-82)60-50-58-40-48-83(92-88(58)90-54-60)95-76-30-11-7-23-67(76)71-28-15-27-66(84(71)95)55-35-43-64(44-36-55)94(62-21-5-2-6-22-62)78-32-16-29-72-69-25-9-13-33-79(69)97-86(72)78/h1-54H
InChIKeyBCCIJBSHHFAMNK-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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 139390946) is N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc(-c3cc(-c4cnc5nc(-n6c7ccccc7c7cccc(-c8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8)c76)ccc5c4)cc4c5ccccc5n(-c5ccc6cccnc6n5)c34)cc2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is BCCIJBSHHFAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H54N8OS/c1-3-19-61(20-4-1)93(65-45-46-81-74(53-65)70-26-10-14-34-80(70)98-81)63-41-37-56(38-42-63)73-51-59(52-75-68-24-8-12-31-77(68)96(85(73)75)82-47-39-57-18-17-49-89-87(57)91-82)60-50-58-40-48-83(92-88(58)90-54-60)95-76-30-11-7-23-67(76)71-28-15-27-66(84(71)95)55-35-43-64(44-36-55)94(62-21-5-2-6-22-62)78-32-16-29-72-69-25-9-13-33-79(69)97-86(72)78/h1-54H.
What are the key properties of N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine?
N-[4-[9-[6-[1-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-9-(1,8-naphthyridin-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-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-2-yl)carbazol-3-yl]-1,8-naphthyridin-2-yl]carbazol-1-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 139390946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).