N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline

C144H118N4 — CID 170298217

IUPACN-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c7cc(CC(C)(C)c8cc(-c9cccc%10cccc(-c%11ccccc%11N(c%11cccc(-c%12cccc%13c%12c%12ccccc%12n%13-c%12ccccc%12)c%11)c%11ccc(-c%12ccccc%12)cc%11-c%11ccccc%11)c9%10)cc(C(C)(C)C)c8)ccc7n(-c7ccccc7)c6c5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C144H118N4/c1-141(2,3)110-85-108(86-111(93-110)142(4,5)6)119-63-37-50-102-52-39-66-124(138(102)119)121-60-30-33-68-130(121)145(133-82-76-104(97-42-18-12-19-43-97)90-127(133)100-46-22-14-23-47-100)116-78-73-99(74-79-116)106-75-80-123-129-84-96(72-81-135(129)147(137(123)92-106)115-57-28-17-29-58-115)95-144(10,11)113-88-109(87-112(94-113)143(7,8)9)120-64-38-51-103-53-40-67-125(139(103)120)122-61-31-34-69-131(122)148(134-83-77-105(98-44-20-13-21-45-98)91-128(134)101-48-24-15-25-49-101)117-59-36-54-107(89-117)118-65-41-71-136-140(118)126-62-32-35-70-132(126)146(136)114-55-26-16-27-56-114/h12-94H,95H2,1-11H3
InChIKeyNFAHZWXYDWWCFR-UHFFFAOYSA-N
MW1904.56 g/mol
LogP40.21
Rot. Bonds21

About N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline

N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline (PubChem CID 170298217) has the molecular formula C144H118N4 and a molecular weight of 1904.56 g/mol. Its IUPAC name is N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline
PubChem CID170298217
Molecular FormulaC144H118N4
Molecular Weight1904.56 g/mol
Exact Mass1902.94
IUPAC NameN-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c7cc(CC(C)(C)c8cc(-c9cccc%10cccc(-c%11ccccc%11N(c%11cccc(-c%12cccc%13c%12c%12ccccc%12n%13-c%12ccccc%12)c%11)c%11ccc(-c%12ccccc%12)cc%11-c%11ccccc%11)c9%10)cc(C(C)(C)C)c8)ccc7n(-c7ccccc7)c6c5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C144H118N4/c1-141(2,3)110-85-108(86-111(93-110)142(4,5)6)119-63-37-50-102-52-39-66-124(138(102)119)121-60-30-33-68-130(121)145(133-82-76-104(97-42-18-12-19-43-97)90-127(133)100-46-22-14-23-47-100)116-78-73-99(74-79-116)106-75-80-123-129-84-96(72-81-135(129)147(137(123)92-106)115-57-28-17-29-58-115)95-144(10,11)113-88-109(87-112(94-113)143(7,8)9)120-64-38-51-103-53-40-67-125(139(103)120)122-61-31-34-69-131(122)148(134-83-77-105(98-44-20-13-21-45-98)91-128(134)101-48-24-15-25-49-101)117-59-36-54-107(89-117)118-65-41-71-136-140(118)126-62-32-35-70-132(126)146(136)114-55-26-16-27-56-114/h12-94H,95H2,1-11H3
InChIKeyNFAHZWXYDWWCFR-UHFFFAOYSA-N
XLogP40.21
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001904.56
LogP ≤ 540.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline with MolForge

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298322
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298069
N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298373
3,5-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298338
4-tert-butyl-2-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297188
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170304124
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170298333
N-(3-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303122
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170297134
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299811

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline?
The IUPAC name of N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline (CID 170298217) is N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline.
What is the SMILES notation for N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline?
The canonical SMILES for N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c7cc(CC(C)(C)c8cc(-c9cccc%10cccc(-c%11ccccc%11N(c%11cccc(-c%12cccc%13c%12c%12ccccc%12n%13-c%12ccccc%12)c%11)c%11ccc(-c%12ccccc%12)cc%11-c%11ccccc%11)c9%10)cc(C(C)(C)C)c8)ccc7n(-c7ccccc7)c6c5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline?
The InChIKey is NFAHZWXYDWWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H118N4/c1-141(2,3)110-85-108(86-111(93-110)142(4,5)6)119-63-37-50-102-52-39-66-124(138(102)119)121-60-30-33-68-130(121)145(133-82-76-104(97-42-18-12-19-43-97)90-127(133)100-46-22-14-23-47-100)116-78-73-99(74-79-116)106-75-80-123-129-84-96(72-81-135(129)147(137(123)92-106)115-57-28-17-29-58-115)95-144(10,11)113-88-109(87-112(94-113)143(7,8)9)120-64-38-51-103-53-40-67-125(139(103)120)122-61-31-34-69-131(122)148(134-83-77-105(98-44-20-13-21-45-98)91-128(134)101-48-24-15-25-49-101)117-59-36-54-107(89-117)118-65-41-71-136-140(118)126-62-32-35-70-132(126)146(136)114-55-26-16-27-56-114/h12-94H,95H2,1-11H3.
What are the key properties of N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline?
N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline has a molecular weight of 1904.56 g/mol, XLogP of 40.21, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[2-[3-tert-butyl-5-[8-[2-(2,4-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]-2-methylpropyl]-9-phenylcarbazol-2-yl]phenyl]-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2,4-diphenylaniline is sourced from PubChem (CID 170298217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).