N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine

C64H54N4O2 — CID 59246334

IUPACN-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
SMILESCOc1ccc(N(c2cccnc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(OC)cc7)c7cccnc7)ccc5-6)cc4)ccc2-3)cc1
InChIInChI=1S/C64H54N4O2/c1-63(2)59-37-45(19-31-55(59)57-33-25-49(39-61(57)63)67(51-9-7-35-65-41-51)47-21-27-53(69-5)28-22-47)17-15-43-11-13-44(14-12-43)16-18-46-20-32-56-58-34-26-50(40-62(58)64(3,4)60(56)38-46)68(52-10-8-36-66-42-52)48-23-29-54(70-6)30-24-48/h7-42H,1-6H3/b17-15+,18-16+
InChIKeyRSESIFIULYTHSW-YTEMWHBBSA-N
MW911.16 g/mol
LogP16.39
Rot. Bonds12

About N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine

N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine (PubChem CID 59246334) has the molecular formula C64H54N4O2 and a molecular weight of 911.16 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
PubChem CID59246334
Molecular FormulaC64H54N4O2
Molecular Weight911.16 g/mol
Exact Mass910.42
IUPAC NameN-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
SMILESCOc1ccc(N(c2cccnc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(OC)cc7)c7cccnc7)ccc5-6)cc4)ccc2-3)cc1
InChIInChI=1S/C64H54N4O2/c1-63(2)59-37-45(19-31-55(59)57-33-25-49(39-61(57)63)67(51-9-7-35-65-41-51)47-21-27-53(69-5)28-22-47)17-15-43-11-13-44(14-12-43)16-18-46-20-32-56-58-34-26-50(40-62(58)64(3,4)60(56)38-46)68(52-10-8-36-66-42-52)48-23-29-54(70-6)30-24-48/h7-42H,1-6H3/b17-15+,18-16+
InChIKeyRSESIFIULYTHSW-YTEMWHBBSA-N
XLogP16.39
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.16
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine (CID 59246334) is N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine is COc1ccc(N(c2cccnc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(OC)cc7)c7cccnc7)ccc5-6)cc4)ccc2-3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The InChIKey is RSESIFIULYTHSW-YTEMWHBBSA-N. The full InChI is InChI=1S/C64H54N4O2/c1-63(2)59-37-45(19-31-55(59)57-33-25-49(39-61(57)63)67(51-9-7-35-65-41-51)47-21-27-53(69-5)28-22-47)17-15-43-11-13-44(14-12-43)16-18-46-20-32-56-58-34-26-50(40-62(58)64(3,4)60(56)38-46)68(52-10-8-36-66-42-52)48-23-29-54(70-6)30-24-48/h7-42H,1-6H3/b17-15+,18-16+.
What are the key properties of N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine has a molecular weight of 911.16 g/mol, XLogP of 16.39, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-methoxy-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine is sourced from PubChem (CID 59246334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).