13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol

C78H52N2O4 — CID 134401827

IUPAC13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol
SMILESOC1c2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3oc4c(-c5ccccc5)cccc4c3c2-c2c(ccc3c2oc2c(-c4ccc(-c5ccccc5)cc4)cccc23)C1(O)N(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C78H52N2O4/c81-77-72-68(79(58-28-12-4-13-29-58)61-45-42-52-24-16-17-27-57(52)48-61)49-69-70(66-35-19-33-62(75(66)83-69)55-25-10-3-11-26-55)73(72)71-67(78(77,82)80(59-30-14-5-15-31-59)60-43-40-54(41-44-60)51-22-8-2-9-23-51)47-46-65-64-34-18-32-63(74(64)84-76(65)71)56-38-36-53(37-39-56)50-20-6-1-7-21-50/h1-49,77,81-82H
InChIKeyOIKQQHROMZPNTK-UHFFFAOYSA-N
MW1081.28 g/mol
LogP20.47
Rot. Bonds10

About 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol

13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol (PubChem CID 134401827) has the molecular formula C78H52N2O4 and a molecular weight of 1081.28 g/mol. Its IUPAC name is 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol.

Molecular Properties

Compound Name13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol
PubChem CID134401827
Molecular FormulaC78H52N2O4
Molecular Weight1081.28 g/mol
Exact Mass1080.39
IUPAC Name13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol
SMILESOC1c2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3oc4c(-c5ccccc5)cccc4c3c2-c2c(ccc3c2oc2c(-c4ccc(-c5ccccc5)cc4)cccc23)C1(O)N(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C78H52N2O4/c81-77-72-68(79(58-28-12-4-13-29-58)61-45-42-52-24-16-17-27-57(52)48-61)49-69-70(66-35-19-33-62(75(66)83-69)55-25-10-3-11-26-55)73(72)71-67(78(77,82)80(59-30-14-5-15-31-59)60-43-40-54(41-44-60)51-22-8-2-9-23-51)47-46-65-64-34-18-32-63(74(64)84-76(65)71)56-38-36-53(37-39-56)50-20-6-1-7-21-50/h1-49,77,81-82H
InChIKeyOIKQQHROMZPNTK-UHFFFAOYSA-N
XLogP20.47
TPSA73.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.28
LogP ≤ 520.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol with MolForge

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

Launch Full Analysis

Related Compounds

13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine
CID 159055073
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170666084
N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167253410
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 160719576
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130466814
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
CID 169064498
N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675432

Frequently Asked Questions

What is the IUPAC name of 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol?
The IUPAC name of 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol (CID 134401827) is 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol.
What is the SMILES notation for 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol?
The canonical SMILES for 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol is OC1c2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3oc4c(-c5ccccc5)cccc4c3c2-c2c(ccc3c2oc2c(-c4ccc(-c5ccccc5)cc4)cccc23)C1(O)N(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol?
The InChIKey is OIKQQHROMZPNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2O4/c81-77-72-68(79(58-28-12-4-13-29-58)61-45-42-52-24-16-17-27-57(52)48-61)49-69-70(66-35-19-33-62(75(66)83-69)55-25-10-3-11-26-55)73(72)71-67(78(77,82)80(59-30-14-5-15-31-59)60-43-40-54(41-44-60)51-22-8-2-9-23-51)47-46-65-64-34-18-32-63(74(64)84-76(65)71)56-38-36-53(37-39-56)50-20-6-1-7-21-50/h1-49,77,81-82H.
What are the key properties of 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol?
13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol has a molecular weight of 1081.28 g/mol, XLogP of 20.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol is sourced from PubChem (CID 134401827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).