N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline

C76H68N4 — CID 154936997

IUPACN-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline
SMILESCC1=CCCC(N(c2ccc(-c3ccc(N(C4=CC=CCC4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8cccc(C)c8)C8C=C(C)C=CC8)cc7)cc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)=C1
InChIInChI=1S/C76H68N4/c1-55-15-11-23-73(51-55)79(74-24-12-16-56(2)52-74)71-47-35-63(36-48-71)61-31-43-69(44-32-61)77(65-19-7-5-8-20-65)67-39-27-59(28-40-67)60-29-41-68(42-30-60)78(66-21-9-6-10-22-66)70-45-33-62(34-46-70)64-37-49-72(50-38-64)80(75-25-13-17-57(3)53-75)76-26-14-18-58(4)54-76/h5-9,11-13,15-21,23,25,27-54,74H,10,14,22,24,26H2,1-4H3
InChIKeyUZFNVMUSETWICR-UHFFFAOYSA-N
MW1037.41 g/mol
LogP21.32
Rot. Bonds15

About N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline

N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline (PubChem CID 154936997) has the molecular formula C76H68N4 and a molecular weight of 1037.41 g/mol. Its IUPAC name is N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound NameN-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline
PubChem CID154936997
Molecular FormulaC76H68N4
Molecular Weight1037.41 g/mol
Exact Mass1036.54
IUPAC NameN-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline
SMILESCC1=CCCC(N(c2ccc(-c3ccc(N(C4=CC=CCC4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8cccc(C)c8)C8C=C(C)C=CC8)cc7)cc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)=C1
InChIInChI=1S/C76H68N4/c1-55-15-11-23-73(51-55)79(74-24-12-16-56(2)52-74)71-47-35-63(36-48-71)61-31-43-69(44-32-61)77(65-19-7-5-8-20-65)67-39-27-59(28-40-67)60-29-41-68(42-30-60)78(66-21-9-6-10-22-66)70-45-33-62(34-46-70)64-37-49-72(50-38-64)80(75-25-13-17-57(3)53-75)76-26-14-18-58(4)54-76/h5-9,11-13,15-21,23,25,27-54,74H,10,14,22,24,26H2,1-4H3
InChIKeyUZFNVMUSETWICR-UHFFFAOYSA-N
XLogP21.32
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms80
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.41
LogP ≤ 521.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline (CID 154936997) is N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline is CC1=CCCC(N(c2ccc(-c3ccc(N(C4=CC=CCC4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8cccc(C)c8)C8C=C(C)C=CC8)cc7)cc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)=C1.
What is the InChIKey of N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is UZFNVMUSETWICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H68N4/c1-55-15-11-23-73(51-55)79(74-24-12-16-56(2)52-74)71-47-35-63(36-48-71)61-31-43-69(44-32-61)77(65-19-7-5-8-20-65)67-39-27-59(28-40-67)60-29-41-68(42-30-60)78(66-21-9-6-10-22-66)70-45-33-62(34-46-70)64-37-49-72(50-38-64)80(75-25-13-17-57(3)53-75)76-26-14-18-58(4)54-76/h5-9,11-13,15-21,23,25,27-54,74H,10,14,22,24,26H2,1-4H3.
What are the key properties of N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline?
N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 1037.41 g/mol, XLogP of 21.32, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 154936997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).