N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C128H113N5 — CID 59404159

IUPACN-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C5(c6ccc(N(c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c7ccc(C8(c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)c9ccccc9-c9ccccc98)cc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)ccc21
InChIInChI=1S/C128H113N5/c1-11-13-27-90(12-2)87-129-123-39-26-21-34-117(123)118-86-94(50-85-124(118)129)93-48-71-106(72-49-93)132(108-75-53-96(54-76-108)126(8,9)10)110-79-57-98(58-80-110)128(121-37-24-19-32-115(121)116-33-20-25-38-122(116)128)100-61-83-112(84-62-100)133(105-69-46-92(47-70-105)91-44-67-104(68-45-91)131(102-63-40-88(3)41-64-102)103-65-42-89(4)43-66-103)111-81-59-99(60-82-111)127(119-35-22-17-30-113(119)114-31-18-23-36-120(114)127)97-55-77-109(78-56-97)130(101-28-15-14-16-29-101)107-73-51-95(52-74-107)125(5,6)7/h14-26,28-86,90H,11-13,27,87H2,1-10H3
InChIKeyMLOLHUYTQHQHDU-UHFFFAOYSA-N
MW1721.35 g/mol
LogP35.16
Rot. Bonds24

About N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 59404159) has the molecular formula C128H113N5 and a molecular weight of 1721.35 g/mol. Its IUPAC name is N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID59404159
Molecular FormulaC128H113N5
Molecular Weight1721.35 g/mol
Exact Mass1719.90
IUPAC NameN-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C5(c6ccc(N(c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c7ccc(C8(c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)c9ccccc9-c9ccccc98)cc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)ccc21
InChIInChI=1S/C128H113N5/c1-11-13-27-90(12-2)87-129-123-39-26-21-34-117(123)118-86-94(50-85-124(118)129)93-48-71-106(72-49-93)132(108-75-53-96(54-76-108)126(8,9)10)110-79-57-98(58-80-110)128(121-37-24-19-32-115(121)116-33-20-25-38-122(116)128)100-61-83-112(84-62-100)133(105-69-46-92(47-70-105)91-44-67-104(68-45-91)131(102-63-40-88(3)41-64-102)103-65-42-89(4)43-66-103)111-81-59-99(60-82-111)127(119-35-22-17-30-113(119)114-31-18-23-36-120(114)127)97-55-77-109(78-56-97)130(101-28-15-14-16-29-101)107-73-51-95(52-74-107)125(5,6)7/h14-26,28-86,90H,11-13,27,87H2,1-10H3
InChIKeyMLOLHUYTQHQHDU-UHFFFAOYSA-N
XLogP35.16
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001721.35
LogP ≤ 535.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline
CID 59404168
tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline
CID 160900828
3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole
CID 59561667
3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)
CID 158708477
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404152
9-[4-[9-(4-tert-butylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-3,6-di(carbazol-9-yl)carbazole;3,6-dibutyl-9-[9-[4-[9-(4-tert-butylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-6-(3,6-dibutylcarbazol-9-yl)carbazol-3-yl]carbazole;4-[4-[N-[4-(2,7-dimethyl-9-phenylfluoren-9-yl)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 160709397
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine
CID 177397871
N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
CID 58151189
9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 157202960
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 59404159) is N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C5(c6ccc(N(c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c7ccc(C8(c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)c9ccccc9-c9ccccc98)cc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)ccc21.
What is the InChIKey of N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is MLOLHUYTQHQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H113N5/c1-11-13-27-90(12-2)87-129-123-39-26-21-34-117(123)118-86-94(50-85-124(118)129)93-48-71-106(72-49-93)132(108-75-53-96(54-76-108)126(8,9)10)110-79-57-98(58-80-110)128(121-37-24-19-32-115(121)116-33-20-25-38-122(116)128)100-61-83-112(84-62-100)133(105-69-46-92(47-70-105)91-44-67-104(68-45-91)131(102-63-40-88(3)41-64-102)103-65-42-89(4)43-66-103)111-81-59-99(60-82-111)127(119-35-22-17-30-113(119)114-31-18-23-36-120(114)127)97-55-77-109(78-56-97)130(101-28-15-14-16-29-101)107-73-51-95(52-74-107)125(5,6)7/h14-26,28-86,90H,11-13,27,87H2,1-10H3.
What are the key properties of N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1721.35 g/mol, XLogP of 35.16, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59404159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).