12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

C44H25NO — CID 118580846

IUPAC12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3cc4c(cc3c3c5ccccc5ccc32)oc2ccccc24)c1
InChIInChI=1S/C44H25NO/c1-2-12-30-26(9-1)19-22-39-44(30)38-25-42-37(33-15-5-6-18-41(33)46-42)24-40(38)45(39)28-11-7-10-27(23-28)29-20-21-36-32-14-4-3-13-31(32)35-17-8-16-34(29)43(35)36/h1-25H
InChIKeyUAMFDXOWFQIXNI-UHFFFAOYSA-N
MW583.69 g/mol
LogP12.30
Rot. Bonds2

About 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (PubChem CID 118580846) has the molecular formula C44H25NO and a molecular weight of 583.69 g/mol. Its IUPAC name is 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
PubChem CID118580846
Molecular FormulaC44H25NO
Molecular Weight583.69 g/mol
Exact Mass583.19
IUPAC Name12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3cc4c(cc3c3c5ccccc5ccc32)oc2ccccc24)c1
InChIInChI=1S/C44H25NO/c1-2-12-30-26(9-1)19-22-39-44(30)38-25-42-37(33-15-5-6-18-41(33)46-42)24-40(38)45(39)28-11-7-10-27(23-28)29-20-21-36-32-14-4-3-13-31(32)35-17-8-16-34(29)43(35)36/h1-25H
InChIKeyUAMFDXOWFQIXNI-UHFFFAOYSA-N
XLogP12.30
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene with MolForge

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Related Compounds

22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 118581027
3-(3-fluoranthen-3-ylphenyl)-3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 118301096
12-[3-dibenzofuran-3-yl-4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 163601486
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
10-phenyl-22-[9-(15-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaen-10-yl)fluoranthen-3-yl]-15-[3-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
CID 154976988
7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 170109568
16-(3-naphthalen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 174232921
26-(8-chrysen-6-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene;13-(3-phenylphenyl)-21-(8-pyren-1-yldibenzofuran-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene
CID 165021277
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919
12-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 149268876
12-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916102

Frequently Asked Questions

What is the IUPAC name of 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The IUPAC name of 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (CID 118580846) is 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.
What is the SMILES notation for 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The canonical SMILES for 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3cc4c(cc3c3c5ccccc5ccc32)oc2ccccc24)c1.
What is the InChIKey of 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The InChIKey is UAMFDXOWFQIXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NO/c1-2-12-30-26(9-1)19-22-39-44(30)38-25-42-37(33-15-5-6-18-41(33)46-42)24-40(38)45(39)28-11-7-10-27(23-28)29-20-21-36-32-14-4-3-13-31(32)35-17-8-16-34(29)43(35)36/h1-25H.
What are the key properties of 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene has a molecular weight of 583.69 g/mol, XLogP of 12.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-fluoranthen-3-ylphenyl)-22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is sourced from PubChem (CID 118580846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).