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

C44H25N — CID 118580856

IUPAC9-(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
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1c3c2ccccc2n1-c1ccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C44H25N/c1-2-11-31-30(10-1)34-15-7-16-37-43(34)39(31)25-41-44(37)36-12-3-4-17-40(36)45(41)29-21-18-26(19-22-29)28-20-23-32-33-13-5-8-27-9-6-14-35(42(27)33)38(32)24-28/h1-25H
InChIKeyQKUWCBMDOZSMPB-UHFFFAOYSA-N
MW567.69 g/mol
LogP12.05
Rot. Bonds2

About 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

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 (PubChem CID 118580856) has the molecular formula C44H25N and a molecular weight of 567.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID118580856
Molecular FormulaC44H25N
Molecular Weight567.69 g/mol
Exact Mass567.20
IUPAC Name9-(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
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1c3c2ccccc2n1-c1ccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C44H25N/c1-2-11-31-30(10-1)34-15-7-16-37-43(34)39(31)25-41-44(37)36-12-3-4-17-40(36)45(41)29-21-18-26(19-22-29)28-20-23-32-33-13-5-8-27-9-6-14-35(42(27)33)38(32)24-28/h1-25H
InChIKeyQKUWCBMDOZSMPB-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 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 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
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
9-phenyl-5-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301140
9-fluoranthen-3-yl-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-(3-fluoranthen-8-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-(4-fluoranthen-8-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 159499237
5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
CID 162167913
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-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300978
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
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
5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118580618
4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434564

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1cccc3c1c-2cc1c3c2ccccc2n1-c1ccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 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?
The InChIKey is QKUWCBMDOZSMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N/c1-2-11-31-30(10-1)34-15-7-16-37-43(34)39(31)25-41-44(37)36-12-3-4-17-40(36)45(41)29-21-18-26(19-22-29)28-20-23-32-33-13-5-8-27-9-6-14-35(42(27)33)38(32)24-28/h1-25H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 118580856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).