N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine

C120H72N4OS3 — CID 170030867

About N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine

N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine (PubChem CID 170030867) has the molecular formula C120H72N4OS3 and a molecular weight of 1682.12 g/mol. Its IUPAC name is N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine.

Molecular Properties

• Compound Name: N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine
• PubChem CID: 170030867
• Molecular Formula: C120H72N4OS3
• Molecular Weight: 1682.12 g/mol
• Exact Mass: 1680.49
• IUPAC Name: N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine
• SMILES: c1ccc(-n2c3ccccc3c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccc6c(c5)sc5ccc(-c7ccc(-n8c9ccccc9c9c(N(c%10ccc(-c%11ccc%12ccccc%12c%11)cc%10)c%10ccc(-c%11ccc%12c(c%11)sc%11ccccc%11%12)c%11oc%12ccccc%12c%10%11)cccc98)c8ccccc78)cc56)c5sc6ccccc6c45)cccc32)cc1
• InChI: InChI=1S/C120H72N4OS3/c1-2-27-82(28-3-1)121-100-38-15-10-33-95(100)115-103(121)40-21-41-104(115)123(84-58-51-76(52-59-84)86-37-20-26-75-24-6-7-29-85(75)86)108-67-64-89(120-118(108)98-36-14-19-46-111(98)128-120)81-54-61-94-99-70-79(55-68-112(99)127-114(94)72-81)87-62-65-102(91-31-9-8-30-90(87)91)124-101-39-16-11-34-96(101)116-105(42-22-43-106(116)124)122(83-56-49-74(50-57-83)78-48-47-73-23-4-5-25-77(73)69-78)107-66-63-88(119-117(107)97-35-12-17-44-109(97)125-119)80-53-60-93-92-32-13-18-45-110(92)126-113(93)71-80/h1-72H
• InChIKey: KVGPAYRJJGNROH-UHFFFAOYSA-N
• XLogP: 35.62
• TPSA: 29.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1682.12
LogP ≤ 5	35.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine?

The IUPAC name of N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine (CID 170030867) is N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine.

What is the SMILES notation for N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine?

The canonical SMILES for N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine is c1ccc(-n2c3ccccc3c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccc6c(c5)sc5ccc(-c7ccc(-n8c9ccccc9c9c(N(c%10ccc(-c%11ccc%12ccccc%12c%11)cc%10)c%10ccc(-c%11ccc%12c(c%11)sc%11ccccc%11%12)c%11oc%12ccccc%12c%10%11)cccc98)c8ccccc78)cc56)c5sc6ccccc6c45)cccc32)cc1.

What is the InChIKey of N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine?

The InChIKey is KVGPAYRJJGNROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H72N4OS3/c1-2-27-82(28-3-1)121-100-38-15-10-33-95(100)115-103(121)40-21-41-104(115)123(84-58-51-76(52-59-84)86-37-20-26-75-24-6-7-29-85(75)86)108-67-64-89(120-118(108)98-36-14-19-46-111(98)128-120)81-54-61-94-99-70-79(55-68-112(99)127-114(94)72-81)87-62-65-102(91-31-9-8-30-90(87)91)124-101-39-16-11-34-96(101)116-105(42-22-43-106(116)124)122(83-56-49-74(50-57-83)78-48-47-73-23-4-5-25-77(73)69-78)107-66-63-88(119-117(107)97-35-12-17-44-109(97)125-119)80-53-60-93-92-32-13-18-45-110(92)126-113(93)71-80/h1-72H.

What are the key properties of N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine?

N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine has a molecular weight of 1682.12 g/mol, XLogP of 35.62, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine is sourced from PubChem (CID 170030867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).