15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene

C59H38N2 — CID 89492473

IUPAC15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3c(cc2n4-c2ccc(-c4ccc5ccccc5c4)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C59H38N2/c1-4-18-43(19-5-1)59(44-20-6-2-7-21-44)53-26-14-12-24-47(53)49-35-50-52-37-56-51(48-25-13-15-27-55(48)60(56)45-22-8-3-9-23-45)36-57(52)61(58(50)38-54(49)59)46-32-30-40(31-33-46)42-29-28-39-16-10-11-17-41(39)34-42/h1-38H
InChIKeyBYNYBHNNOHEPNV-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.06
Rot. Bonds5

About 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene

15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene (PubChem CID 89492473) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene.

Molecular Properties

Compound Name15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
PubChem CID89492473
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC Name15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3c(cc2n4-c2ccc(-c4ccc5ccccc5c4)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C59H38N2/c1-4-18-43(19-5-1)59(44-20-6-2-7-21-44)53-26-14-12-24-47(53)49-35-50-52-37-56-51(48-25-13-15-27-55(48)60(56)45-22-8-3-9-23-45)36-57(52)61(58(50)38-54(49)59)46-32-30-40(31-33-46)42-29-28-39-16-10-11-17-41(39)34-42/h1-38H
InChIKeyBYNYBHNNOHEPNV-UHFFFAOYSA-N
XLogP15.06
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene with MolForge

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Related Compounds

5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
CID 134551673
CID 134551673
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084

Frequently Asked Questions

What is the IUPAC name of 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene?
The IUPAC name of 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene (CID 89492473) is 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene.
What is the SMILES notation for 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene?
The canonical SMILES for 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3c(cc2n4-c2ccc(-c4ccc5ccccc5c4)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene?
The InChIKey is BYNYBHNNOHEPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-4-18-43(19-5-1)59(44-20-6-2-7-21-44)53-26-14-12-24-47(53)49-35-50-52-37-56-51(48-25-13-15-27-55(48)60(56)45-22-8-3-9-23-45)36-57(52)61(58(50)38-54(49)59)46-32-30-40(31-33-46)42-29-28-39-16-10-11-17-41(39)34-42/h1-38H.
What are the key properties of 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene?
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene has a molecular weight of 774.97 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene is sourced from PubChem (CID 89492473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).