9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine

C162H112N6OS2 — CID 146330050

IUPAC9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11ccc%12ccc%13c(c%12c%11c%10)NC(c%10ccccc%10)O%13)cc9)cc8)cc7)c6)cc5)c5ccc(-c6ccc7c(ccc8ccc9c(c87)NC(c7ccc(-c8ccccc8)cc7)S9)c6)cc5)cc4)c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6ccc7c(c65)NC(c5ccc(-c6ccccc6)cc5)S7)c4)cc3)cc21
InChIInChI=1S/C162H112N6OS2/c1-162(2)148-101-131(70-91-145(148)146-92-88-142(102-149(146)162)168(140-76-54-109(55-77-140)105-24-12-5-13-25-105)141-86-64-115(65-87-141)129-69-90-144-133(99-129)53-46-120-73-95-152-158(154(120)144)165-161(171-152)123-49-40-107(41-50-123)104-22-10-4-11-23-104)127-31-19-30-126(97-127)113-60-80-138(81-61-113)167(139-82-62-114(63-83-139)128-68-89-143-132(98-128)52-45-119-72-94-151-157(153(119)143)164-160(170-151)122-47-38-106(39-48-122)103-20-8-3-9-21-103)137-78-58-112(59-79-137)125-29-18-28-124(96-125)111-36-34-108(35-37-111)110-56-74-135(75-57-110)166(134-32-16-7-17-33-134)136-84-66-116(67-85-136)130-51-43-117-42-44-118-71-93-150-156(155(118)147(117)100-130)163-159(169-150)121-26-14-6-15-27-121/h3-102,159-161,163-165H,1-2H3
InChIKeyZQXPIGJVRFAPHY-UHFFFAOYSA-N
MW2222.85 g/mol
LogP45.59
Rot. Bonds23

About 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine

9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine (PubChem CID 146330050) has the molecular formula C162H112N6OS2 and a molecular weight of 2222.85 g/mol. Its IUPAC name is 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine
PubChem CID146330050
Molecular FormulaC162H112N6OS2
Molecular Weight2222.85 g/mol
Exact Mass2220.83
IUPAC Name9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11ccc%12ccc%13c(c%12c%11c%10)NC(c%10ccccc%10)O%13)cc9)cc8)cc7)c6)cc5)c5ccc(-c6ccc7c(ccc8ccc9c(c87)NC(c7ccc(-c8ccccc8)cc7)S9)c6)cc5)cc4)c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6ccc7c(c65)NC(c5ccc(-c6ccccc6)cc5)S7)c4)cc3)cc21
InChIInChI=1S/C162H112N6OS2/c1-162(2)148-101-131(70-91-145(148)146-92-88-142(102-149(146)162)168(140-76-54-109(55-77-140)105-24-12-5-13-25-105)141-86-64-115(65-87-141)129-69-90-144-133(99-129)53-46-120-73-95-152-158(154(120)144)165-161(171-152)123-49-40-107(41-50-123)104-22-10-4-11-23-104)127-31-19-30-126(97-127)113-60-80-138(81-61-113)167(139-82-62-114(63-83-139)128-68-89-143-132(98-128)52-45-119-72-94-151-157(153(119)143)164-160(170-151)122-47-38-106(39-48-122)103-20-8-3-9-21-103)137-78-58-112(59-79-137)125-29-18-28-124(96-125)111-36-34-108(35-37-111)110-56-74-135(75-57-110)166(134-32-16-7-17-33-134)136-84-66-116(67-85-136)130-51-43-117-42-44-118-71-93-150-156(155(118)147(117)100-130)163-159(169-150)121-26-14-6-15-27-121/h3-102,159-161,163-165H,1-2H3
InChIKeyZQXPIGJVRFAPHY-UHFFFAOYSA-N
XLogP45.59
TPSA55.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002222.85
LogP ≤ 545.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 146330126
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 174319615
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
9,9-dimethyl-N-[4-(2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazol-8-yl)phenyl]-N-(2-phenylphenyl)fluoren-3-amine
CID 170424699
9,9-dimethyl-N,N-diphenyl-7-(8-phenylnaphthalen-2-yl)fluoren-2-amine
CID 139352610
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-(9,9-dimethylfluoren-2-yl)-1-methyl-2-phenyl-N-(4-phenylphenyl)-2H-naphtho[1,2-e][1,3]benzothiazol-9-amine
CID 129095470
9,9-dimethyl-7-phenanthren-4-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118369438
2-N-[3-[7-[4-(N-[9,9-dimethyl-7-(N-(4-naphthalen-2-ylphenyl)anilino)fluoren-2-yl]anilino)phenyl]naphthalen-2-yl]phenyl]-2-N-[4-[4-[3-[4-[N-[9,9-dimethyl-7-(N-[4-(3-phenylphenyl)phenyl]anilino)fluoren-2-yl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 134482074
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine (CID 146330050) is 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine is CC1(C)c2cc(-c3cccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11ccc%12ccc%13c(c%12c%11c%10)NC(c%10ccccc%10)O%13)cc9)cc8)cc7)c6)cc5)c5ccc(-c6ccc7c(ccc8ccc9c(c87)NC(c7ccc(-c8ccccc8)cc7)S9)c6)cc5)cc4)c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6ccc7c(c65)NC(c5ccc(-c6ccccc6)cc5)S7)c4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine?
The InChIKey is ZQXPIGJVRFAPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H112N6OS2/c1-162(2)148-101-131(70-91-145(148)146-92-88-142(102-149(146)162)168(140-76-54-109(55-77-140)105-24-12-5-13-25-105)141-86-64-115(65-87-141)129-69-90-144-133(99-129)53-46-120-73-95-152-158(154(120)144)165-161(171-152)123-49-40-107(41-50-123)104-22-10-4-11-23-104)127-31-19-30-126(97-127)113-60-80-138(81-61-113)167(139-82-62-114(63-83-139)128-68-89-143-132(98-128)52-45-119-72-94-151-157(153(119)143)164-160(170-151)122-47-38-106(39-48-122)103-20-8-3-9-21-103)137-78-58-112(59-79-137)125-29-18-28-124(96-125)111-36-34-108(35-37-111)110-56-74-135(75-57-110)166(134-32-16-7-17-33-134)136-84-66-116(67-85-136)130-51-43-117-42-44-118-71-93-150-156(155(118)147(117)100-130)163-159(169-150)121-26-14-6-15-27-121/h3-102,159-161,163-165H,1-2H3.
What are the key properties of 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine has a molecular weight of 2222.85 g/mol, XLogP of 45.59, 23 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-[3-[4-[N-[4-[3-[4-[4-(N-[4-(2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 146330050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).