3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline

C207H180BrN7O6 — CID 158138131

IUPAC3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline
SMILESC=Cc1ccc(COCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C8=C(c9cccc(N(c%10ccccc%10)c%10ccc(-c%11ccc(-c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14ccc(COCCCCOCc%15ccc(C=C)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)c9)CCC8)cc7Nc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.C=Cc1ccc(OCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(Br)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(Nc2cccc(C3=C(c4cccc(Nc5ccccc5)c4)CCC3)c2)cc1
InChIInChI=1S/C129H112N4O4.C49H42BrNO2.C29H26N2/c1-3-95-35-39-97(40-36-95)91-134-85-17-19-87-136-93-99-43-74-120(75-44-99)131(117-26-11-6-12-27-117)122-78-67-110(68-79-122)106-57-51-102(52-58-106)101-47-49-105(50-48-101)109-63-65-113(66-64-109)128-84-73-115(90-129(128)130-116-24-9-5-10-25-116)127-34-22-33-126(127)114-23-21-32-125(89-114)133(119-30-15-8-16-31-119)124-82-71-112(72-83-124)108-61-55-104(56-62-108)103-53-59-107(60-54-103)111-69-80-123(81-70-111)132(118-28-13-7-14-29-118)121-76-45-100(46-77-121)94-137-88-20-18-86-135-92-98-41-37-96(4-2)38-42-98;1-2-37-12-32-49(33-13-37)53-35-7-6-34-52-36-38-10-28-47(29-11-38)51(46-8-4-3-5-9-46)48-30-24-44(25-31-48)42-20-16-40(17-21-42)39-14-18-41(19-15-39)43-22-26-45(50)27-23-43;1-3-12-24(13-4-1)30-26-16-7-10-22(20-26)28-18-9-19-29(28)23-11-8-17-27(21-23)31-25-14-5-2-6-15-25/h3-16,21,23-32,35-84,89-90,130H,1-2,17-20,22,33-34,85-88,91-94H2;2-5,8-33H,1,6-7,34-36H2;1-8,10-17,20-21,30-31H,9,18-19H2
InChIKeyFTPHSGHPTOPZPF-UHFFFAOYSA-N
MW2941.66 g/mol
LogP57.12
Rot. Bonds61

About 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline

3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline (PubChem CID 158138131) has the molecular formula C207H180BrN7O6 and a molecular weight of 2941.66 g/mol. Its IUPAC name is 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline.

Molecular Properties

Compound Name3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline
PubChem CID158138131
Molecular FormulaC207H180BrN7O6
Molecular Weight2941.66 g/mol
Exact Mass2938.32
IUPAC Name3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline
SMILESC=Cc1ccc(COCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C8=C(c9cccc(N(c%10ccccc%10)c%10ccc(-c%11ccc(-c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14ccc(COCCCCOCc%15ccc(C=C)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)c9)CCC8)cc7Nc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.C=Cc1ccc(OCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(Br)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(Nc2cccc(C3=C(c4cccc(Nc5ccccc5)c4)CCC3)c2)cc1
InChIInChI=1S/C129H112N4O4.C49H42BrNO2.C29H26N2/c1-3-95-35-39-97(40-36-95)91-134-85-17-19-87-136-93-99-43-74-120(75-44-99)131(117-26-11-6-12-27-117)122-78-67-110(68-79-122)106-57-51-102(52-58-106)101-47-49-105(50-48-101)109-63-65-113(66-64-109)128-84-73-115(90-129(128)130-116-24-9-5-10-25-116)127-34-22-33-126(127)114-23-21-32-125(89-114)133(119-30-15-8-16-31-119)124-82-71-112(72-83-124)108-61-55-104(56-62-108)103-53-59-107(60-54-103)111-69-80-123(81-70-111)132(118-28-13-7-14-29-118)121-76-45-100(46-77-121)94-137-88-20-18-86-135-92-98-41-37-96(4-2)38-42-98;1-2-37-12-32-49(33-13-37)53-35-7-6-34-52-36-38-10-28-47(29-11-38)51(46-8-4-3-5-9-46)48-30-24-44(25-31-48)42-20-16-40(17-21-42)39-14-18-41(19-15-39)43-22-26-45(50)27-23-43;1-3-12-24(13-4-1)30-26-16-7-10-22(20-26)28-18-9-19-29(28)23-11-8-17-27(21-23)31-25-14-5-2-6-15-25/h3-16,21,23-32,35-84,89-90,130H,1-2,17-20,22,33-34,85-88,91-94H2;2-5,8-33H,1,6-7,34-36H2;1-8,10-17,20-21,30-31H,9,18-19H2
InChIKeyFTPHSGHPTOPZPF-UHFFFAOYSA-N
XLogP57.12
TPSA104.43 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds61
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002941.66
LogP ≤ 557.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline?
The IUPAC name of 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline (CID 158138131) is 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline.
What is the SMILES notation for 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline?
The canonical SMILES for 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline is C=Cc1ccc(COCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C8=C(c9cccc(N(c%10ccccc%10)c%10ccc(-c%11ccc(-c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14ccc(COCCCCOCc%15ccc(C=C)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)c9)CCC8)cc7Nc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.C=Cc1ccc(OCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(Br)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(Nc2cccc(C3=C(c4cccc(Nc5ccccc5)c4)CCC3)c2)cc1.
What is the InChIKey of 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline?
The InChIKey is FTPHSGHPTOPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H112N4O4.C49H42BrNO2.C29H26N2/c1-3-95-35-39-97(40-36-95)91-134-85-17-19-87-136-93-99-43-74-120(75-44-99)131(117-26-11-6-12-27-117)122-78-67-110(68-79-122)106-57-51-102(52-58-106)101-47-49-105(50-48-101)109-63-65-113(66-64-109)128-84-73-115(90-129(128)130-116-24-9-5-10-25-116)127-34-22-33-126(127)114-23-21-32-125(89-114)133(119-30-15-8-16-31-119)124-82-71-112(72-83-124)108-61-55-104(56-62-108)103-53-59-107(60-54-103)111-69-80-123(81-70-111)132(118-28-13-7-14-29-118)121-76-45-100(46-77-121)94-137-88-20-18-86-135-92-98-41-37-96(4-2)38-42-98;1-2-37-12-32-49(33-13-37)53-35-7-6-34-52-36-38-10-28-47(29-11-38)51(46-8-4-3-5-9-46)48-30-24-44(25-31-48)42-20-16-40(17-21-42)39-14-18-41(19-15-39)43-22-26-45(50)27-23-43;1-3-12-24(13-4-1)30-26-16-7-10-22(20-26)28-18-9-19-29(28)23-11-8-17-27(21-23)31-25-14-5-2-6-15-25/h3-16,21,23-32,35-84,89-90,130H,1-2,17-20,22,33-34,85-88,91-94H2;2-5,8-33H,1,6-7,34-36H2;1-8,10-17,20-21,30-31H,9,18-19H2.
What are the key properties of 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline?
3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline has a molecular weight of 2941.66 g/mol, XLogP of 57.12, 61 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline is sourced from PubChem (CID 158138131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).