10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene

C44H25N — CID 118564953

IUPAC10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3c4c(ccc32)-c2cccc3cccc-4c23)c1
InChIInChI=1S/C44H25N/c1-2-14-31-30(13-1)33-18-8-17-32-29(21-22-35(31)42(32)33)27-11-5-12-28(25-27)45-39-20-4-3-15-37(39)44-40(45)24-23-36-34-16-6-9-26-10-7-19-38(41(26)34)43(36)44/h1-25H
InChIKeyGEUMGRQKFXNMAN-UHFFFAOYSA-N
MW567.69 g/mol
LogP12.05
Rot. Bonds2

About 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene

10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene (PubChem CID 118564953) has the molecular formula C44H25N and a molecular weight of 567.69 g/mol. Its IUPAC name is 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
PubChem CID118564953
Molecular FormulaC44H25N
Molecular Weight567.69 g/mol
Exact Mass567.20
IUPAC Name10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3c4c(ccc32)-c2cccc3cccc-4c23)c1
InChIInChI=1S/C44H25N/c1-2-14-31-30(13-1)33-18-8-17-32-29(21-22-35(31)42(32)33)27-11-5-12-28(25-27)45-39-20-4-3-15-37(39)44-40(45)24-23-36-34-16-6-9-26-10-7-19-38(41(26)34)43(36)44/h1-25H
InChIKeyGEUMGRQKFXNMAN-UHFFFAOYSA-N
XLogP12.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene with MolForge

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Related Compounds

3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
10-(5-phenylbenzo[b]carbazol-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118565077
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
4-(10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaen-10-yl)aniline
CID 144751191
23-[3-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 158340631
7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 170109568
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564899
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
10-[4-(4-phenylquinazolin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564966
9-(3-fluoranthen-3-ylphenyl)-24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118580989
9-(3-fluoranthen-3-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118580975

Frequently Asked Questions

What is the IUPAC name of 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The IUPAC name of 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene (CID 118564953) is 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene.
What is the SMILES notation for 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The canonical SMILES for 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene is c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3c4c(ccc32)-c2cccc3cccc-4c23)c1.
What is the InChIKey of 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The InChIKey is GEUMGRQKFXNMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N/c1-2-14-31-30(13-1)33-18-8-17-32-29(21-22-35(31)42(32)33)27-11-5-12-28(25-27)45-39-20-4-3-15-37(39)44-40(45)24-23-36-34-16-6-9-26-10-7-19-38(41(26)34)43(36)44/h1-25H.
What are the key properties of 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene has a molecular weight of 567.69 g/mol, XLogP of 12.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene is sourced from PubChem (CID 118564953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).