N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine

C69H52N2O — CID 145318490

IUPACN-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine
SMILESCOc1ccc(-c2ccc(N(C)c3ccccc3)c(-c3ccccc3)c2)cc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2C3)cc1
InChIInChI=1S/C69H52N2O/c1-70(56-23-10-5-11-24-56)68-42-35-52(45-66(68)50-20-8-4-9-21-50)53-36-43-69(72-2)67(46-53)51-32-39-58(40-33-51)71(57-37-30-49(31-38-57)48-18-6-3-7-19-48)59-41-34-55-44-54-22-12-13-25-60(54)61-26-14-15-27-62(61)63-28-16-17-29-64(63)65(55)47-59/h3-43,45-47H,44H2,1-2H3
InChIKeyLPQCXYSGQMRWNZ-UHFFFAOYSA-N
MW925.19 g/mol
LogP18.51
Rot. Bonds10

About N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine

N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine (PubChem CID 145318490) has the molecular formula C69H52N2O and a molecular weight of 925.19 g/mol. Its IUPAC name is N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine.

Molecular Properties

Compound NameN-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine
PubChem CID145318490
Molecular FormulaC69H52N2O
Molecular Weight925.19 g/mol
Exact Mass924.41
IUPAC NameN-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine
SMILESCOc1ccc(-c2ccc(N(C)c3ccccc3)c(-c3ccccc3)c2)cc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2C3)cc1
InChIInChI=1S/C69H52N2O/c1-70(56-23-10-5-11-24-56)68-42-35-52(45-66(68)50-20-8-4-9-21-50)53-36-43-69(72-2)67(46-53)51-32-39-58(40-33-51)71(57-37-30-49(31-38-57)48-18-6-3-7-19-48)59-41-34-55-44-54-22-12-13-25-60(54)61-26-14-15-27-62(61)63-28-16-17-29-64(63)65(55)47-59/h3-43,45-47H,44H2,1-2H3
InChIKeyLPQCXYSGQMRWNZ-UHFFFAOYSA-N
XLogP18.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.19
LogP ≤ 518.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine?
The IUPAC name of N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine (CID 145318490) is N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine.
What is the SMILES notation for N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine?
The canonical SMILES for N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine is COc1ccc(-c2ccc(N(C)c3ccccc3)c(-c3ccccc3)c2)cc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2C3)cc1.
What is the InChIKey of N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine?
The InChIKey is LPQCXYSGQMRWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52N2O/c1-70(56-23-10-5-11-24-56)68-42-35-52(45-66(68)50-20-8-4-9-21-50)53-36-43-69(72-2)67(46-53)51-32-39-58(40-33-51)71(57-37-30-49(31-38-57)48-18-6-3-7-19-48)59-41-34-55-44-54-22-12-13-25-60(54)61-26-14-15-27-62(61)63-28-16-17-29-64(63)65(55)47-59/h3-43,45-47H,44H2,1-2H3.
What are the key properties of N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine?
N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine has a molecular weight of 925.19 g/mol, XLogP of 18.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine is sourced from PubChem (CID 145318490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).