16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

C46H30N2 — CID 122465584

IUPAC16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6cc7ccccc7cc6n(-c6ccccc6)c5cc43)c2)cc1
InChIInChI=1S/C46H30N2/c1-4-14-31(15-5-1)35-24-36(32-16-6-2-7-17-32)26-38(25-35)48-43-23-13-12-22-39(43)41-29-42-40-27-33-18-10-11-19-34(33)28-44(40)47(46(42)30-45(41)48)37-20-8-3-9-21-37/h1-30H
InChIKeyBOLAKCOVZCBHBB-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.37
Rot. Bonds4

About 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene (PubChem CID 122465584) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
PubChem CID122465584
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6cc7ccccc7cc6n(-c6ccccc6)c5cc43)c2)cc1
InChIInChI=1S/C46H30N2/c1-4-14-31(15-5-1)35-24-36(32-16-6-2-7-17-32)26-38(25-35)48-43-23-13-12-22-39(43)41-29-42-40-27-33-18-10-11-19-34(33)28-44(40)47(46(42)30-45(41)48)37-20-8-3-9-21-37/h1-30H
InChIKeyBOLAKCOVZCBHBB-UHFFFAOYSA-N
XLogP12.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene with MolForge

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Related Compounds

12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 159455961
7-phenyl-5-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-b]carbazole
CID 166592002
7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 118041197
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
11-(3,5-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)indolo[3,2-b]carbazole
CID 118318933
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054
9-(3,5-diphenylphenyl)carbazole
CID 86068368
22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
CID 122465786
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408

Frequently Asked Questions

What is the IUPAC name of 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?
The IUPAC name of 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene (CID 122465584) is 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene.
What is the SMILES notation for 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?
The canonical SMILES for 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6cc7ccccc7cc6n(-c6ccccc6)c5cc43)c2)cc1.
What is the InChIKey of 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?
The InChIKey is BOLAKCOVZCBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-4-14-31(15-5-1)35-24-36(32-16-6-2-7-17-32)26-38(25-35)48-43-23-13-12-22-39(43)41-29-42-40-27-33-18-10-11-19-34(33)28-44(40)47(46(42)30-45(41)48)37-20-8-3-9-21-37/h1-30H.
What are the key properties of 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?
16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene has a molecular weight of 610.76 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene is sourced from PubChem (CID 122465584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).