5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine

C58H48N2 — CID 91287474

IUPAC5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine
SMILESCC1(C)c2cc(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc2-c2cc3c(cc21)-c1cc2c(cc1C3(C)C)C(c1ccccc1)c1ccccc1C2(C)C
InChIInChI=1S/C58H48N2/c1-56(2)45-24-14-13-23-40(45)55(36-19-9-7-10-20-36)44-35-49-43(34-50(44)56)42-33-47-41(32-48(42)58(49,5)6)39-30-29-38(31-46(39)57(47,3)4)60-53-27-17-15-25-51(53)59(37-21-11-8-12-22-37)52-26-16-18-28-54(52)60/h7-35,55H,1-6H3
InChIKeyPEXQSTATNAVBLD-UHFFFAOYSA-N
MW773.04 g/mol
LogP15.37
Rot. Bonds3

About 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine

5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine (PubChem CID 91287474) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine.

Molecular Properties

Compound Name5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine
PubChem CID91287474
Molecular FormulaC58H48N2
Molecular Weight773.04 g/mol
Exact Mass772.38
IUPAC Name5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine
SMILESCC1(C)c2cc(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc2-c2cc3c(cc21)-c1cc2c(cc1C3(C)C)C(c1ccccc1)c1ccccc1C2(C)C
InChIInChI=1S/C58H48N2/c1-56(2)45-24-14-13-23-40(45)55(36-19-9-7-10-20-36)44-35-49-43(34-50(44)56)42-33-47-41(32-48(42)58(49,5)6)39-30-29-38(31-46(39)57(47,3)4)60-53-27-17-15-25-51(53)59(37-21-11-8-12-22-37)52-26-16-18-28-54(52)60/h7-35,55H,1-6H3
InChIKeyPEXQSTATNAVBLD-UHFFFAOYSA-N
XLogP15.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine with MolForge

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Related Compounds

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14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
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CID 118227857
11-[6-[(E)-2-[9,9-dimethyl-7-(10-phenylphenazin-5-yl)fluoren-2-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
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9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
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2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine
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10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine;10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 157103657

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine?
The IUPAC name of 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine (CID 91287474) is 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine.
What is the SMILES notation for 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine?
The canonical SMILES for 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine is CC1(C)c2cc(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc2-c2cc3c(cc21)-c1cc2c(cc1C3(C)C)C(c1ccccc1)c1ccccc1C2(C)C.
What is the InChIKey of 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine?
The InChIKey is PEXQSTATNAVBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-56(2)45-24-14-13-23-40(45)55(36-19-9-7-10-20-36)44-35-49-43(34-50(44)56)42-33-47-41(32-48(42)58(49,5)6)39-30-29-38(31-46(39)57(47,3)4)60-53-27-17-15-25-51(53)59(37-21-11-8-12-22-37)52-26-16-18-28-54(52)60/h7-35,55H,1-6H3.
What are the key properties of 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine?
5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine has a molecular weight of 773.04 g/mol, XLogP of 15.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine is sourced from PubChem (CID 91287474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).