11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene

C44H25N — CID 118580860

IUPAC11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5cccc6cccc-7c56)cc4)ccc-2c13
InChIInChI=1S/C44H25N/c1-2-11-31-30(10-1)34-16-7-15-33-29(22-23-37(31)44(33)34)26-18-20-28(21-19-26)45-41-17-4-3-12-32(41)40-24-38-35-13-5-8-27-9-6-14-36(43(27)35)39(38)25-42(40)45/h1-25H
InChIKeyAPBPHQCMXULAFR-UHFFFAOYSA-N
MW567.69 g/mol
LogP12.05
Rot. Bonds2

About 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene

11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene (PubChem CID 118580860) has the molecular formula C44H25N and a molecular weight of 567.69 g/mol. Its IUPAC name is 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
PubChem CID118580860
Molecular FormulaC44H25N
Molecular Weight567.69 g/mol
Exact Mass567.20
IUPAC Name11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5cccc6cccc-7c56)cc4)ccc-2c13
InChIInChI=1S/C44H25N/c1-2-11-31-30(10-1)34-16-7-15-33-29(22-23-37(31)44(33)34)26-18-20-28(21-19-26)45-41-17-4-3-12-32(41)40-24-38-35-13-5-8-27-9-6-14-36(43(27)35)39(38)25-42(40)45/h1-25H
InChIKeyAPBPHQCMXULAFR-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 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene with MolForge

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Related Compounds

5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
N-[4-(11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15,17,19,21,23,25(29),26-tetradecaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155771544
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580861
9-(4-fluoranthen-8-ylphenyl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118580856
16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[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 118580874
5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118580618
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
9-[4-(4-phenylquinazolin-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene;11-[4-(4-phenylquinazolin-2-yl)phenyl]-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 159806119
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318

Frequently Asked Questions

What is the IUPAC name of 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene?
The IUPAC name of 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene (CID 118580860) is 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene.
What is the SMILES notation for 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene?
The canonical SMILES for 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene is c1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5cccc6cccc-7c56)cc4)ccc-2c13.
What is the InChIKey of 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene?
The InChIKey is APBPHQCMXULAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N/c1-2-11-31-30(10-1)34-16-7-15-33-29(22-23-37(31)44(33)34)26-18-20-28(21-19-26)45-41-17-4-3-12-32(41)40-24-38-35-13-5-8-27-9-6-14-36(43(27)35)39(38)25-42(40)45/h1-25H.
What are the key properties of 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene?
11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(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 11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene is sourced from PubChem (CID 118580860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).