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

C160H102N2 — CID 155305435

IUPACN-[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
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4c(-c5cccc(-c6ccc7cc(-c8ccccc8-c8cccc(-c9ccc(-c%10ccc(N(c%11ccc%12c(c%11)C%11(c%13ccccc%13-c%13ccccc%13%11)c%11ccccc%11-%12)c%11c(-c%12cccc(-c%13ccccc%13-c%13ccccc%13)c%12)c%12ccccc%12c%12ccccc%11%12)cc%10)cc9)c8)ccc7c6)c5)c5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C160H102N2/c1-3-36-108(37-4-1)125-46-7-8-48-127(125)110-78-76-104(77-79-110)106-86-90-121(91-87-106)161(123-92-94-141-139-60-25-31-70-151(139)159(153(141)101-123)147-66-27-21-56-135(147)136-57-22-28-67-148(136)159)157-145-64-19-15-54-133(145)131-52-13-17-62-143(131)155(157)119-44-34-41-112(99-119)113-80-81-115-98-118(83-82-114(115)96-113)130-51-12-11-50-129(130)116-42-33-40-111(97-116)107-74-72-103(73-75-107)105-84-88-122(89-85-105)162(124-93-95-142-140-61-26-32-71-152(140)160(154(142)102-124)149-68-29-23-58-137(149)138-59-24-30-69-150(138)160)158-146-65-20-16-55-134(146)132-53-14-18-63-144(132)156(158)120-45-35-43-117(100-120)128-49-10-9-47-126(128)109-38-5-2-6-39-109/h1-102H
InChIKeyCVHXPRXUTMKZPA-UHFFFAOYSA-N
MW2052.59 g/mol
LogP43.08
Rot. Bonds18

About 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

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 (PubChem CID 155305435) has the molecular formula C160H102N2 and a molecular weight of 2052.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155305435
Molecular FormulaC160H102N2
Molecular Weight2052.59 g/mol
Exact Mass2050.80
IUPAC NameN-[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
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4c(-c5cccc(-c6ccc7cc(-c8ccccc8-c8cccc(-c9ccc(-c%10ccc(N(c%11ccc%12c(c%11)C%11(c%13ccccc%13-c%13ccccc%13%11)c%11ccccc%11-%12)c%11c(-c%12cccc(-c%13ccccc%13-c%13ccccc%13)c%12)c%12ccccc%12c%12ccccc%11%12)cc%10)cc9)c8)ccc7c6)c5)c5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C160H102N2/c1-3-36-108(37-4-1)125-46-7-8-48-127(125)110-78-76-104(77-79-110)106-86-90-121(91-87-106)161(123-92-94-141-139-60-25-31-70-151(139)159(153(141)101-123)147-66-27-21-56-135(147)136-57-22-28-67-148(136)159)157-145-64-19-15-54-133(145)131-52-13-17-62-143(131)155(157)119-44-34-41-112(99-119)113-80-81-115-98-118(83-82-114(115)96-113)130-51-12-11-50-129(130)116-42-33-40-111(97-116)107-74-72-103(73-75-107)105-84-88-122(89-85-105)162(124-93-95-142-140-61-26-32-71-152(140)160(154(142)102-124)149-68-29-23-58-137(149)138-59-24-30-69-150(138)160)158-146-65-20-16-55-134(146)132-53-14-18-63-144(132)156(158)120-45-35-43-117(100-120)128-49-10-9-47-126(128)109-38-5-2-6-39-109/h1-102H
InChIKeyCVHXPRXUTMKZPA-UHFFFAOYSA-N
XLogP43.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002052.59
LogP ≤ 543.08
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-[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 with MolForge

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Related Compounds

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
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
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122470393
10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304543
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-[4-[5-[10-[N-(9,9-diphenylfluoren-3-yl)-4-(4-phenylphenyl)anilino]phenanthren-9-yl]naphthalen-2-yl]phenyl]phenyl]-3-phenylphenyl]-10-naphthalen-2-ylphenanthren-9-amine
CID 155305461
N-[4-(3,4-diphenylphenyl)phenyl]-N-phenyl-10-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 155305531
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)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155304597
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4c(-c5cccc(-c6ccc7cc(-c8ccccc8-c8cccc(-c9ccc(-c%10ccc(N(c%11ccc%12c(c%11)C%11(c%13ccccc%13-c%13ccccc%13%11)c%11ccccc%11-%12)c%11c(-c%12cccc(-c%13ccccc%13-c%13ccccc%13)c%12)c%12ccccc%12c%12ccccc%11%12)cc%10)cc9)c8)ccc7c6)c5)c5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is CVHXPRXUTMKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H102N2/c1-3-36-108(37-4-1)125-46-7-8-48-127(125)110-78-76-104(77-79-110)106-86-90-121(91-87-106)161(123-92-94-141-139-60-25-31-70-151(139)159(153(141)101-123)147-66-27-21-56-135(147)136-57-22-28-67-148(136)159)157-145-64-19-15-54-133(145)131-52-13-17-62-143(131)155(157)119-44-34-41-112(99-119)113-80-81-115-98-118(83-82-114(115)96-113)130-51-12-11-50-129(130)116-42-33-40-111(97-116)107-74-72-103(73-75-107)105-84-88-122(89-85-105)162(124-93-95-142-140-61-26-32-71-152(140)160(154(142)102-124)149-68-29-23-58-137(149)138-59-24-30-69-150(138)160)158-146-65-20-16-55-134(146)132-53-14-18-63-144(132)156(158)120-45-35-43-117(100-120)128-49-10-9-47-126(128)109-38-5-2-6-39-109/h1-102H.
What are the key properties of 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?
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 has a molecular weight of 2052.59 g/mol, XLogP of 43.08, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155305435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).