4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline

C138H156N4O6 — CID 87256575

IUPAC4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline
SMILESCCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(N(c6ccc(-c7cc(-c8ccc(OCC(CC)CCCC)cc8)cc8c7[nH]c7ccc(-c9ccc(OCC(CC)CCCC)cc9)cc78)cc6)c6ccc(-c7cc(-c8ccc(OCC(CC)CCCC)cc8)cc8c7[nH]c7ccc(-c9ccc(OCC(CC)CCCC)cc9)cc78)cc6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1
InChIInChI=1S/C138H156N4O6/c1-13-25-31-94(19-7)88-143-118-64-43-100(44-65-118)109-55-76-133-127(79-109)130-85-112(103-49-70-121(71-50-103)146-91-97(22-10)34-28-16-4)82-124(136(130)139-133)106-37-58-115(59-38-106)142(116-60-39-107(40-61-116)125-83-113(104-51-72-122(73-52-104)147-92-98(23-11)35-29-17-5)86-131-128-80-110(56-77-134(128)140-137(125)131)101-45-66-119(67-46-101)144-89-95(20-8)32-26-14-2)117-62-41-108(42-63-117)126-84-114(105-53-74-123(75-54-105)148-93-99(24-12)36-30-18-6)87-132-129-81-111(57-78-135(129)141-138(126)132)102-47-68-120(69-48-102)145-90-96(21-9)33-27-15-3/h37-87,94-99,139-141H,13-36,88-93H2,1-12H3
InChIKeyVXQRUCPNDGYAJT-UHFFFAOYSA-N
MW1966.79 g/mol
LogP40.63
Rot. Bonds54

About 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline

4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline (PubChem CID 87256575) has the molecular formula C138H156N4O6 and a molecular weight of 1966.79 g/mol. Its IUPAC name is 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline
PubChem CID87256575
Molecular FormulaC138H156N4O6
Molecular Weight1966.79 g/mol
Exact Mass1965.20
IUPAC Name4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline
SMILESCCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(N(c6ccc(-c7cc(-c8ccc(OCC(CC)CCCC)cc8)cc8c7[nH]c7ccc(-c9ccc(OCC(CC)CCCC)cc9)cc78)cc6)c6ccc(-c7cc(-c8ccc(OCC(CC)CCCC)cc8)cc8c7[nH]c7ccc(-c9ccc(OCC(CC)CCCC)cc9)cc78)cc6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1
InChIInChI=1S/C138H156N4O6/c1-13-25-31-94(19-7)88-143-118-64-43-100(44-65-118)109-55-76-133-127(79-109)130-85-112(103-49-70-121(71-50-103)146-91-97(22-10)34-28-16-4)82-124(136(130)139-133)106-37-58-115(59-38-106)142(116-60-39-107(40-61-116)125-83-113(104-51-72-122(73-52-104)147-92-98(23-11)35-29-17-5)86-131-128-80-110(56-77-134(128)140-137(125)131)101-45-66-119(67-46-101)144-89-95(20-8)32-26-14-2)117-62-41-108(42-63-117)126-84-114(105-53-74-123(75-54-105)148-93-99(24-12)36-30-18-6)87-132-129-81-111(57-78-135(129)141-138(126)132)102-47-68-120(69-48-102)145-90-96(21-9)33-27-15-3/h37-87,94-99,139-141H,13-36,88-93H2,1-12H3
InChIKeyVXQRUCPNDGYAJT-UHFFFAOYSA-N
XLogP40.63
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds54
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001966.79
LogP ≤ 540.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline?
The IUPAC name of 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline (CID 87256575) is 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline.
What is the SMILES notation for 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline?
The canonical SMILES for 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline is CCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(N(c6ccc(-c7cc(-c8ccc(OCC(CC)CCCC)cc8)cc8c7[nH]c7ccc(-c9ccc(OCC(CC)CCCC)cc9)cc78)cc6)c6ccc(-c7cc(-c8ccc(OCC(CC)CCCC)cc8)cc8c7[nH]c7ccc(-c9ccc(OCC(CC)CCCC)cc9)cc78)cc6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1.
What is the InChIKey of 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline?
The InChIKey is VXQRUCPNDGYAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H156N4O6/c1-13-25-31-94(19-7)88-143-118-64-43-100(44-65-118)109-55-76-133-127(79-109)130-85-112(103-49-70-121(71-50-103)146-91-97(22-10)34-28-16-4)82-124(136(130)139-133)106-37-58-115(59-38-106)142(116-60-39-107(40-61-116)125-83-113(104-51-72-122(73-52-104)147-92-98(23-11)35-29-17-5)86-131-128-80-110(56-77-134(128)140-137(125)131)101-45-66-119(67-46-101)144-89-95(20-8)32-26-14-2)117-62-41-108(42-63-117)126-84-114(105-53-74-123(75-54-105)148-93-99(24-12)36-30-18-6)87-132-129-81-111(57-78-135(129)141-138(126)132)102-47-68-120(69-48-102)145-90-96(21-9)33-27-15-3/h37-87,94-99,139-141H,13-36,88-93H2,1-12H3.
What are the key properties of 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline?
4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline has a molecular weight of 1966.79 g/mol, XLogP of 40.63, 54 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline is sourced from PubChem (CID 87256575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).