N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C146H92N2 — CID 155305261

IUPACN-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4cccc(-c5cccc6c(-c7cccc(-c8cccc(-c9ccc(N(c%10ccc%11c(c%10)C%10(c%12ccccc%12-c%12ccccc%12%10)c%10ccccc%10-%11)c%10c(-c%11ccc(-c%12cccc%13ccccc%12%13)cc%11)c%11ccccc%11c%11ccccc%10%11)cc9)c8)c7)cccc56)c4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C146H92N2/c1-2-34-94(35-3-1)109-45-6-7-46-111(109)97-78-82-106(83-79-97)148(108-85-87-128-126-56-21-27-71-138(126)146(140(128)92-108)135-68-24-18-53-123(135)124-54-19-25-69-136(124)146)144-132-60-15-11-50-120(132)118-48-9-13-58-130(118)142(144)104-43-30-42-103(90-104)114-63-33-64-115-113(62-32-65-116(114)115)102-41-29-40-101(89-102)100-39-28-38-99(88-100)93-76-80-105(81-77-93)147(107-84-86-127-125-55-20-26-70-137(125)145(139(127)91-107)133-66-22-16-51-121(133)122-52-17-23-67-134(122)145)143-131-59-14-10-49-119(131)117-47-8-12-57-129(117)141(143)98-74-72-96(73-75-98)112-61-31-37-95-36-4-5-44-110(95)112/h1-92H
InChIKeyTVKQBBVDHJTOIJ-UHFFFAOYSA-N
MW1874.36 g/mol
LogP39.24
Rot. Bonds15

About N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155305261) has the molecular formula C146H92N2 and a molecular weight of 1874.36 g/mol. Its IUPAC name is N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID155305261
Molecular FormulaC146H92N2
Molecular Weight1874.36 g/mol
Exact Mass1872.73
IUPAC NameN-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4cccc(-c5cccc6c(-c7cccc(-c8cccc(-c9ccc(N(c%10ccc%11c(c%10)C%10(c%12ccccc%12-c%12ccccc%12%10)c%10ccccc%10-%11)c%10c(-c%11ccc(-c%12cccc%13ccccc%12%13)cc%11)c%11ccccc%11c%11ccccc%10%11)cc9)c8)c7)cccc56)c4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C146H92N2/c1-2-34-94(35-3-1)109-45-6-7-46-111(109)97-78-82-106(83-79-97)148(108-85-87-128-126-56-21-27-71-138(126)146(140(128)92-108)135-68-24-18-53-123(135)124-54-19-25-69-136(124)146)144-132-60-15-11-50-120(132)118-48-9-13-58-130(118)142(144)104-43-30-42-103(90-104)114-63-33-64-115-113(62-32-65-116(114)115)102-41-29-40-101(89-102)100-39-28-38-99(88-100)93-76-80-105(81-77-93)147(107-84-86-127-125-55-20-26-70-137(125)145(139(127)91-107)133-66-22-16-51-121(133)122-52-17-23-67-134(122)145)143-131-59-14-10-49-119(131)117-47-8-12-57-129(117)141(143)98-74-72-96(73-75-98)112-61-31-37-95-36-4-5-44-110(95)112/h1-92H
InChIKeyTVKQBBVDHJTOIJ-UHFFFAOYSA-N
XLogP39.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001874.36
LogP ≤ 539.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-[10-[3-[6-[2-[3-[4-[4-[[10-[3-(2-phenylphenyl)phenyl]phenanthren-9-yl]-(9,9'-spirobi[fluorene]-2-yl)amino]phenyl]phenyl]phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthren-9-yl]-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305435
N-[4-[4-[4-[3-[10-[4-[4-[4-[3-[10-[3,5-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]-2-phenylphenyl]phenyl]-N-[10-(4-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155304160
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155305027
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305426
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304182
N-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]-1-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzene-1,4-diamine;1-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine;1-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 158431824

Frequently Asked Questions

What is the IUPAC name of N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 155305261) is N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4cccc(-c5cccc6c(-c7cccc(-c8cccc(-c9ccc(N(c%10ccc%11c(c%10)C%10(c%12ccccc%12-c%12ccccc%12%10)c%10ccccc%10-%11)c%10c(-c%11ccc(-c%12cccc%13ccccc%12%13)cc%11)c%11ccccc%11c%11ccccc%10%11)cc9)c8)c7)cccc56)c4)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is TVKQBBVDHJTOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H92N2/c1-2-34-94(35-3-1)109-45-6-7-46-111(109)97-78-82-106(83-79-97)148(108-85-87-128-126-56-21-27-71-138(126)146(140(128)92-108)135-68-24-18-53-123(135)124-54-19-25-69-136(124)146)144-132-60-15-11-50-120(132)118-48-9-13-58-130(118)142(144)104-43-30-42-103(90-104)114-63-33-64-115-113(62-32-65-116(114)115)102-41-29-40-101(89-102)100-39-28-38-99(88-100)93-76-80-105(81-77-93)147(107-84-86-127-125-55-20-26-70-137(125)145(139(127)91-107)133-66-22-16-51-121(133)122-52-17-23-67-134(122)145)143-131-59-14-10-49-119(131)117-47-8-12-57-129(117)141(143)98-74-72-96(73-75-98)112-61-31-37-95-36-4-5-44-110(95)112/h1-92H.
What are the key properties of N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1874.36 g/mol, XLogP of 39.24, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155305261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).