9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C48H34N2 — CID 146341830

IUPAC9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC(C)(C)c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c3ccc3c5c6ccccc6ccc5n(-c5ccccc5)c34)c3cccc-2c13
InChIInChI=1S/C48H34N2/c1-48(2,3)30-21-22-33-34-17-11-18-36-41(26-23-35(44(34)36)39(33)28-30)50-40-19-10-9-16-37(40)46-43(50)27-24-38-45-32-15-8-7-12-29(32)20-25-42(45)49(47(38)46)31-13-5-4-6-14-31/h4-28H,1-3H3
InChIKeySLAOQEASXNTVJP-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.13
Rot. Bonds2

About 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 146341830) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID146341830
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC(C)(C)c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c3ccc3c5c6ccccc6ccc5n(-c5ccccc5)c34)c3cccc-2c13
InChIInChI=1S/C48H34N2/c1-48(2,3)30-21-22-33-34-17-11-18-36-41(26-23-35(44(34)36)39(33)28-30)50-40-19-10-9-16-37(40)46-43(50)27-24-38-45-32-15-8-7-12-29(32)20-25-42(45)49(47(38)46)31-13-5-4-6-14-31/h4-28H,1-3H3
InChIKeySLAOQEASXNTVJP-UHFFFAOYSA-N
XLogP13.13
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

9-fluoranthen-3-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341837
7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 137420887
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
2,5-bis(24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465554
5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
CID 162167913
3-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-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 149096382
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326341
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
8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304321

Frequently Asked Questions

What is the IUPAC name of 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 146341830) is 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is CC(C)(C)c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c3ccc3c5c6ccccc6ccc5n(-c5ccccc5)c34)c3cccc-2c13.
What is the InChIKey of 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is SLAOQEASXNTVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-48(2,3)30-21-22-33-34-17-11-18-36-41(26-23-35(44(34)36)39(33)28-30)50-40-19-10-9-16-37(40)46-43(50)27-24-38-45-32-15-8-7-12-29(32)20-25-42(45)49(47(38)46)31-13-5-4-6-14-31/h4-28H,1-3H3.
What are the key properties of 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 638.81 g/mol, XLogP of 13.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-tert-butylfluoranthen-3-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 146341830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).