N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine

C79H56F2N4 — CID 163667768

IUPACN-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC1(n2c(-c3ccc(F)cc3)cc3cc4c(cc(-c5ccc(F)cc5)n4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc32)C=CC(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)=CC1
InChIInChI=1S/C79H56F2N4/c1-79(48-46-70(47-49-79)83(74-25-13-21-59-19-9-11-23-72(59)74)67-40-32-57(33-41-67)55-16-6-3-7-17-55)85-77(61-28-36-65(81)37-29-61)53-63-51-76-62(52-78(63)85)50-75(60-26-34-64(80)35-27-60)84(76)69-44-42-68(43-45-69)82(73-24-12-20-58-18-8-10-22-71(58)73)66-38-30-56(31-39-66)54-14-4-2-5-15-54/h2-48,50-53H,49H2,1H3
InChIKeyIZYMEWAVVFZAOY-UHFFFAOYSA-N
MW1099.34 g/mol
LogP21.70
Rot. Bonds12

About N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 163667768) has the molecular formula C79H56F2N4 and a molecular weight of 1099.34 g/mol. Its IUPAC name is N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID163667768
Molecular FormulaC79H56F2N4
Molecular Weight1099.34 g/mol
Exact Mass1098.45
IUPAC NameN-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC1(n2c(-c3ccc(F)cc3)cc3cc4c(cc(-c5ccc(F)cc5)n4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc32)C=CC(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)=CC1
InChIInChI=1S/C79H56F2N4/c1-79(48-46-70(47-49-79)83(74-25-13-21-59-19-9-11-23-72(59)74)67-40-32-57(33-41-67)55-16-6-3-7-17-55)85-77(61-28-36-65(81)37-29-61)53-63-51-76-62(52-78(63)85)50-75(60-26-34-64(80)35-27-60)84(76)69-44-42-68(43-45-69)82(73-24-12-20-58-18-8-10-22-71(58)73)66-38-30-56(31-39-66)54-14-4-2-5-15-54/h2-48,50-53H,49H2,1H3
InChIKeyIZYMEWAVVFZAOY-UHFFFAOYSA-N
XLogP21.70
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.34
LogP ≤ 521.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 163667768) is N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine is CC1(n2c(-c3ccc(F)cc3)cc3cc4c(cc(-c5ccc(F)cc5)n4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc32)C=CC(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)=CC1.
What is the InChIKey of N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is IZYMEWAVVFZAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56F2N4/c1-79(48-46-70(47-49-79)83(74-25-13-21-59-19-9-11-23-72(59)74)67-40-32-57(33-41-67)55-16-6-3-7-17-55)85-77(61-28-36-65(81)37-29-61)53-63-51-76-62(52-78(63)85)50-75(60-26-34-64(80)35-27-60)84(76)69-44-42-68(43-45-69)82(73-24-12-20-58-18-8-10-22-71(58)73)66-38-30-56(31-39-66)54-14-4-2-5-15-54/h2-48,50-53H,49H2,1H3.
What are the key properties of N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 1099.34 g/mol, XLogP of 21.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-bis(4-fluorophenyl)-1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]-4-methylcyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 163667768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).