N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine

C55H35NO — CID 166031701

IUPACN-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)-c1cc2c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c2cc1-3)c1cccc2c1oc1ccccc12
InChIInChI=1S/C55H35NO/c1-34-15-8-12-24-50(34)56(51-25-14-23-43-40-20-11-13-26-52(40)57-55(43)51)39-28-27-37-30-44-45(31-38(37)29-39)47-33-49-48(32-46(44)47)53(35-16-4-2-5-17-35)41-21-9-10-22-42(41)54(49)36-18-6-3-7-19-36/h2-33H,1H3
InChIKeyFXQLNRYBEBSHEA-UHFFFAOYSA-N
MW725.89 g/mol
LogP15.81
Rot. Bonds5

About N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine

N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine (PubChem CID 166031701) has the molecular formula C55H35NO and a molecular weight of 725.89 g/mol. Its IUPAC name is N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
PubChem CID166031701
Molecular FormulaC55H35NO
Molecular Weight725.89 g/mol
Exact Mass725.27
IUPAC NameN-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)-c1cc2c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c2cc1-3)c1cccc2c1oc1ccccc12
InChIInChI=1S/C55H35NO/c1-34-15-8-12-24-50(34)56(51-25-14-23-43-40-20-11-13-26-52(40)57-55(43)51)39-28-27-37-30-44-45(31-38(37)29-39)47-33-49-48(32-46(44)47)53(35-16-4-2-5-17-35)41-21-9-10-22-42(41)54(49)36-18-6-3-7-19-36/h2-33H,1H3
InChIKeyFXQLNRYBEBSHEA-UHFFFAOYSA-N
XLogP15.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.89
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(2-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032551
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-(2-methyl-5-propan-2-ylphenyl)dibenzofuran-4-amine
CID 166033505
8-N,23-N-di(dibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 153201678
N-(4-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032751
9-N,23-N-di(dibenzofuran-4-yl)-14,14,28,28-tetramethyl-9-N,23-N-diphenylheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;14,14,28,28-tetramethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenylheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;14,14,28,28-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 158488076
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
6-N,17-N-di(dibenzofuran-4-yl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033482
N-[16,17-bis(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl]-N-(5-tert-butyl-2-methylphenyl)dibenzofuran-4-amine
CID 166032355
6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033290
9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361821
7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(2-methylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493213
9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359681

Frequently Asked Questions

What is the IUPAC name of N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine (CID 166031701) is N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)-c1cc2c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c2cc1-3)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine?
The InChIKey is FXQLNRYBEBSHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO/c1-34-15-8-12-24-50(34)56(51-25-14-23-43-40-20-11-13-26-52(40)57-55(43)51)39-28-27-37-30-44-45(31-38(37)29-39)47-33-49-48(32-46(44)47)53(35-16-4-2-5-17-35)41-21-9-10-22-42(41)54(49)36-18-6-3-7-19-36/h2-33H,1H3.
What are the key properties of N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine?
N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine has a molecular weight of 725.89 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 166031701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).