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

C48H27N — CID 118580861

IUPAC11-(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
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5cccc6cccc-7c56)c5ccccc45)ccc-2c13
InChIInChI=1S/C48H27N/c1-2-14-31-30(13-1)36-19-9-20-37-33(22-23-40(31)48(36)37)32-24-25-45(34-15-4-3-12-29(32)34)49-44-21-6-5-16-35(44)43-26-41-38-17-7-10-28-11-8-18-39(47(28)38)42(41)27-46(43)49/h1-27H
InChIKeyHWSZQNNXDHMYGB-UHFFFAOYSA-N
MW617.75 g/mol
LogP13.21
Rot. Bonds2

About 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

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 (PubChem CID 118580861) has the molecular formula C48H27N and a molecular weight of 617.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-(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
PubChem CID118580861
Molecular FormulaC48H27N
Molecular Weight617.75 g/mol
Exact Mass617.21
IUPAC Name11-(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
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5cccc6cccc-7c56)c5ccccc45)ccc-2c13
InChIInChI=1S/C48H27N/c1-2-14-31-30(13-1)36-19-9-20-37-33(22-23-40(31)48(36)37)32-24-25-45(34-15-4-3-12-29(32)34)49-44-21-6-5-16-35(44)43-26-41-38-17-7-10-28-11-8-18-39(47(28)38)42(41)27-46(43)49/h1-27H
InChIKeyHWSZQNNXDHMYGB-UHFFFAOYSA-N
XLogP13.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
CID 121475489
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
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
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159993956
9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 170109697
8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304321
5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
CID 162167913
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
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5cccc6cccc-7c56)c5ccccc45)ccc-2c13.
What is the InChIKey of 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?
The InChIKey is HWSZQNNXDHMYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N/c1-2-14-31-30(13-1)36-19-9-20-37-33(22-23-40(31)48(36)37)32-24-25-45(34-15-4-3-12-29(32)34)49-44-21-6-5-16-35(44)43-26-41-38-17-7-10-28-11-8-18-39(47(28)38)42(41)27-46(43)49/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 617.75 g/mol, XLogP of 13.21, 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-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 is sourced from PubChem (CID 118580861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).