6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine

C119H77N7O2 — CID 129178985

About 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine

6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine (PubChem CID 129178985) has the molecular formula C119H77N7O2 and a molecular weight of 1636.97 g/mol. Its IUPAC name is 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine.

Molecular Properties

• Compound Name: 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine
• PubChem CID: 129178985
• Molecular Formula: C119H77N7O2
• Molecular Weight: 1636.97 g/mol
• Exact Mass: 1635.61
• IUPAC Name: 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)oc2c(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c(N(c9ccccc9)c9cc(N(c%10ccccc%10)c%10cccc%11ccccc%10%11)c%10c(c9)oc9c(-c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11)cccc9%10)cccc8c7)c7ccncc67)c5c4)cccc23)cc1
• InChI: InChI=1S/C119H77N7O2/c1-8-35-83(36-9-1)121(84-37-10-2-11-38-84)90-73-112(122(85-39-12-3-13-40-85)86-41-14-4-15-42-86)116-102-54-30-53-96(118(102)127-114(116)75-90)82-62-65-101-99-51-25-27-57-108(99)126(111(101)72-82)109-67-66-92(97-68-69-120-77-104(97)109)80-60-63-94-79(70-80)34-29-58-105(94)123(87-43-16-5-17-44-87)91-74-113(125(89-47-20-7-21-48-89)106-59-28-33-78-32-22-23-49-93(78)106)117-103-55-31-52-95(119(103)128-115(117)76-91)81-61-64-100-98-50-24-26-56-107(98)124(110(100)71-81)88-45-18-6-19-46-88/h1-77H
• InChIKey: FGVBYQGQJXUTRY-UHFFFAOYSA-N
• XLogP: 33.41
• TPSA: 61.99 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1636.97
LogP ≤ 5	33.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine?

The IUPAC name of 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine (CID 129178985) is 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine.

What is the SMILES notation for 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine?

The canonical SMILES for 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)oc2c(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c(N(c9ccccc9)c9cc(N(c%10ccccc%10)c%10cccc%11ccccc%10%11)c%10c(c9)oc9c(-c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11)cccc9%10)cccc8c7)c7ccncc67)c5c4)cccc23)cc1.

What is the InChIKey of 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine?

The InChIKey is FGVBYQGQJXUTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H77N7O2/c1-8-35-83(36-9-1)121(84-37-10-2-11-38-84)90-73-112(122(85-39-12-3-13-40-85)86-41-14-4-15-42-86)116-102-54-30-53-96(118(102)127-114(116)75-90)82-62-65-101-99-51-25-27-57-108(99)126(111(101)72-82)109-67-66-92(97-68-69-120-77-104(97)109)80-60-63-94-79(70-80)34-29-58-105(94)123(87-43-16-5-17-44-87)91-74-113(125(89-47-20-7-21-48-89)106-59-28-33-78-32-22-23-49-93(78)106)117-103-55-31-52-95(119(103)128-115(117)76-91)81-61-64-100-98-50-24-26-56-107(98)124(110(100)71-81)88-45-18-6-19-46-88/h1-77H.

What are the key properties of 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine?

6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine has a molecular weight of 1636.97 g/mol, XLogP of 33.41, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[5-[5-(N-[1-(N-naphthalen-1-ylanilino)-6-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]anilino)naphthalen-2-yl]isoquinolin-8-yl]carbazol-2-yl]-1-N,1-N,3-N,3-N-tetraphenyldibenzofuran-1,3-diamine is sourced from PubChem (CID 129178985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).