15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene

C78H51N5O — CID 163425109

IUPAC15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene
SMILESCC1(C)c2ccccc2-c2cc3c4ccncc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)-c5cc7c8cccnc8n(-c8ccc9c(c8)oc8ccccc89)c7c7cccc(c57)C6(C)C)c4)c3c3cccc1c23
InChIInChI=1S/C78H51N5O/c1-77(2)63-23-8-5-17-49(63)59-41-61-51-34-36-79-43-69(51)82(74(61)55-20-12-24-65(77)72(55)59)47-30-33-68-58(39-47)50-18-6-9-26-67(50)81(68)46-16-11-15-44(37-46)45-28-32-64-57(38-45)60-42-62-54-22-14-35-80-76(54)83(75(62)56-21-13-25-66(73(56)60)78(64,3)4)48-29-31-53-52-19-7-10-27-70(52)84-71(53)40-48/h5-43H,1-4H3
InChIKeyALUOUVOSPUMHGT-UHFFFAOYSA-N
MW1074.30 g/mol
LogP20.25
Rot. Bonds4

About 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene

15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene (PubChem CID 163425109) has the molecular formula C78H51N5O and a molecular weight of 1074.30 g/mol. Its IUPAC name is 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene.

Molecular Properties

Compound Name15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene
PubChem CID163425109
Molecular FormulaC78H51N5O
Molecular Weight1074.30 g/mol
Exact Mass1073.41
IUPAC Name15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene
SMILESCC1(C)c2ccccc2-c2cc3c4ccncc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)-c5cc7c8cccnc8n(-c8ccc9c(c8)oc8ccccc89)c7c7cccc(c57)C6(C)C)c4)c3c3cccc1c23
InChIInChI=1S/C78H51N5O/c1-77(2)63-23-8-5-17-49(63)59-41-61-51-34-36-79-43-69(51)82(74(61)55-20-12-24-65(77)72(55)59)47-30-33-68-58(39-47)50-18-6-9-26-67(50)81(68)46-16-11-15-44(37-46)45-28-32-64-57(38-45)60-42-62-54-22-14-35-80-76(54)83(75(62)56-21-13-25-66(73(56)60)78(64,3)4)48-29-31-53-52-19-7-10-27-70(52)84-71(53)40-48/h5-43H,1-4H3
InChIKeyALUOUVOSPUMHGT-UHFFFAOYSA-N
XLogP20.25
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.30
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene with MolForge

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Related Compounds

N-[3-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;3-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-pyridin-3-ylphenyl)aniline;N-[3-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 160810129
6-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]-9-phenylpyrido[2,3-b]indole;5-phenyl-8-[3-[3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrido[3,2-b]indole;5-phenyl-8-[3-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-9-yl]pyrido[3,2-b]indole;5-phenyl-8-[8-[5-(5-phenylpyrido[4,3-b]indol-8-yl)pyrido[4,3-b]indol-8-yl]pyrido[4,3-b]indol-5-yl]pyrido[4,3-b]indole
CID 158594485
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylcarbazole;ethane
CID 142569133
9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]pyrido[2,3-b]indole
CID 156578056
2-[3-(14,14-dimethyl-6,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]xanthen-9-one
CID 146186079
12-[3-[3-[5-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 123161041
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 157101340
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 156578035
2,4-bis(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 163494635
N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine
CID 166002710

Frequently Asked Questions

What is the IUPAC name of 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene?
The IUPAC name of 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene (CID 163425109) is 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene.
What is the SMILES notation for 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene?
The canonical SMILES for 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene is CC1(C)c2ccccc2-c2cc3c4ccncc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)-c5cc7c8cccnc8n(-c8ccc9c(c8)oc8ccccc89)c7c7cccc(c57)C6(C)C)c4)c3c3cccc1c23.
What is the InChIKey of 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene?
The InChIKey is ALUOUVOSPUMHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51N5O/c1-77(2)63-23-8-5-17-49(63)59-41-61-51-34-36-79-43-69(51)82(74(61)55-20-12-24-65(77)72(55)59)47-30-33-68-58(39-47)50-18-6-9-26-67(50)81(68)46-16-11-15-44(37-46)45-28-32-64-57(38-45)60-42-62-54-22-14-35-80-76(54)83(75(62)56-21-13-25-66(73(56)60)78(64,3)4)48-29-31-53-52-19-7-10-27-70(52)84-71(53)40-48/h5-43H,1-4H3.
What are the key properties of 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene?
15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene has a molecular weight of 1074.30 g/mol, XLogP of 20.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene is sourced from PubChem (CID 163425109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).