N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine

C57H37NO — CID 90262676

IUPACN-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine
SMILESc1ccc(C(c2cc3ccccc3c3ccccc23)c2c3ccccc3c(N(c3ccccc3)c3cc4ccccc4c4ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C57H37NO/c1-3-19-37(20-4-1)53(50-35-38-21-7-9-25-41(38)43-27-11-12-29-45(43)50)54-47-31-15-16-32-48(47)56(55-49-33-17-18-34-52(49)59-57(54)55)58(40-23-5-2-6-24-40)51-36-39-22-8-10-26-42(39)44-28-13-14-30-46(44)51/h1-36,53H
InChIKeyBMNGKQXWEIRTOM-UHFFFAOYSA-N
MW751.93 g/mol
LogP16.00
Rot. Bonds6

About N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine

N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine (PubChem CID 90262676) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine
PubChem CID90262676
Molecular FormulaC57H37NO
Molecular Weight751.93 g/mol
Exact Mass751.29
IUPAC NameN-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine
SMILESc1ccc(C(c2cc3ccccc3c3ccccc23)c2c3ccccc3c(N(c3ccccc3)c3cc4ccccc4c4ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C57H37NO/c1-3-19-37(20-4-1)53(50-35-38-21-7-9-25-41(38)43-27-11-12-29-45(43)50)54-47-31-15-16-32-48(47)56(55-49-33-17-18-34-52(49)59-57(54)55)58(40-23-5-2-6-24-40)51-36-39-22-8-10-26-42(39)44-28-13-14-30-46(44)51/h1-36,53H
InChIKeyBMNGKQXWEIRTOM-UHFFFAOYSA-N
XLogP16.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-N,11-N-di(phenanthren-9-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262487
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
CID 167184155
6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 163975167
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155361637
11-N,11-N,23-N,23-N-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaene-11,23-diamine
CID 70938435
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167276945
N-phenanthren-9-yl-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167128377
N-phenanthren-9-yl-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167128970
4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263128
9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359554

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine?
The IUPAC name of N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine (CID 90262676) is N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine.
What is the SMILES notation for N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine?
The canonical SMILES for N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine is c1ccc(C(c2cc3ccccc3c3ccccc23)c2c3ccccc3c(N(c3ccccc3)c3cc4ccccc4c4ccccc34)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine?
The InChIKey is BMNGKQXWEIRTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c1-3-19-37(20-4-1)53(50-35-38-21-7-9-25-41(38)43-27-11-12-29-45(43)50)54-47-31-15-16-32-48(47)56(55-49-33-17-18-34-52(49)59-57(54)55)58(40-23-5-2-6-24-40)51-36-39-22-8-10-26-42(39)44-28-13-14-30-46(44)51/h1-36,53H.
What are the key properties of N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine?
N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine has a molecular weight of 751.93 g/mol, XLogP of 16.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-6-[phenanthren-9-yl(phenyl)methyl]-N-phenylnaphtho[3,2-b][1]benzofuran-11-amine is sourced from PubChem (CID 90262676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).