2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C177H120N8 — CID 139295217

About 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 139295217) has the molecular formula C177H120N8 and a molecular weight of 2358.96 g/mol. Its IUPAC name is 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

• Compound Name: 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
• PubChem CID: 139295217
• Molecular Formula: C177H120N8
• Molecular Weight: 2358.96 g/mol
• Exact Mass: 2356.96
• IUPAC Name: 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(N(c7ccc(-c8ccc(N(c9ccccc9)c9cc%10ccccc%10c%10ccccc9%10)cc8)cc7)c7cccc(-c8cccc9c(N(c%10ccc(-c%11ccc(N(c%12ccc%13ccccc%13c%12)c%12cccc%13ccccc%12%13)cc%11)cc%10)c%10ccc%11ccccc%11c%10)cccc89)c7)cc7ccccc7c6c5)cc4)cc32)cc1
• InChI: InChI=1S/C177H120N8/c1-9-50-135(51-10-1)178(136-52-11-2-12-53-136)151-102-107-161-162-108-103-152(179(137-54-13-3-14-55-137)138-56-15-4-16-57-138)118-170(162)177(169(161)117-151)171-119-153(180(139-58-17-5-18-59-139)140-60-19-6-20-61-140)104-109-163(171)164-110-105-154(120-172(164)177)181(141-62-21-7-22-63-141)143-90-85-127(86-91-143)131-89-106-167-168(114-131)157-68-33-31-47-134(157)116-176(167)185(147-98-83-126(84-99-147)123-77-92-144(93-78-123)182(142-64-23-8-24-65-142)175-115-133-46-30-32-67-155(133)159-70-35-36-71-166(159)175)148-66-37-49-132(113-148)156-72-39-74-165-160(156)73-40-76-174(165)184(150-101-88-122-42-26-28-45-130(122)112-150)146-96-81-125(82-97-146)124-79-94-145(95-80-124)183(149-100-87-121-41-25-27-44-129(121)111-149)173-75-38-48-128-43-29-34-69-158(128)173/h1-120H
• InChIKey: ZUSCIFHVMVKJPE-UHFFFAOYSA-N
• XLogP: 49.68
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2358.96
LogP ≤ 5	49.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?

The IUPAC name of 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 139295217) is 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

What is the SMILES notation for 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?

The canonical SMILES for 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(N(c7ccc(-c8ccc(N(c9ccccc9)c9cc%10ccccc%10c%10ccccc9%10)cc8)cc7)c7cccc(-c8cccc9c(N(c%10ccc(-c%11ccc(N(c%12ccc%13ccccc%13c%12)c%12cccc%13ccccc%12%13)cc%11)cc%10)c%10ccc%11ccccc%11c%10)cccc89)c7)cc7ccccc7c6c5)cc4)cc32)cc1.

What is the InChIKey of 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?

The InChIKey is ZUSCIFHVMVKJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H120N8/c1-9-50-135(51-10-1)178(136-52-11-2-12-53-136)151-102-107-161-162-108-103-152(179(137-54-13-3-14-55-137)138-56-15-4-16-57-138)118-170(162)177(169(161)117-151)171-119-153(180(139-58-17-5-18-59-139)140-60-19-6-20-61-140)104-109-163(171)164-110-105-154(120-172(164)177)181(141-62-21-7-22-63-141)143-90-85-127(86-91-143)131-89-106-167-168(114-131)157-68-33-31-47-134(157)116-176(167)185(147-98-83-126(84-99-147)123-77-92-144(93-78-123)182(142-64-23-8-24-65-142)175-115-133-46-30-32-67-155(133)159-70-35-36-71-166(159)175)148-66-37-49-132(113-148)156-72-39-74-165-160(156)73-40-76-174(165)184(150-101-88-122-42-26-28-45-130(122)112-150)146-96-81-125(82-97-146)124-79-94-145(95-80-124)183(149-100-87-121-41-25-27-44-129(121)111-149)173-75-38-48-128-43-29-34-69-158(128)173/h1-120H.

What are the key properties of 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?

2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 2358.96 g/mol, XLogP of 49.68, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N'-[4-[10-[N-[3-[5-[N-naphthalen-2-yl-4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anilino]naphthalen-1-yl]phenyl]-4-[4-(N-phenanthren-9-ylanilino)phenyl]anilino]phenanthren-3-yl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 139295217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).