30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene

C51H38N2 — CID 145449923

IUPAC30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene
SMILESc1ccc(C(=C2CCC2)c2ccc(-n3c4c5c(ccc4c4ccc6c(c7ccccc7n6-c6ccccc6)c43)C3CCC3c3ccccc3-5)cc2)cc1
InChIInChI=1S/C51H38N2/c1-3-12-32(13-4-1)47(33-14-11-15-33)34-22-24-36(25-23-34)53-50-42(29-28-41-39-27-26-38(39)37-18-7-8-19-40(37)48(41)50)43-30-31-46-49(51(43)53)44-20-9-10-21-45(44)52(46)35-16-5-2-6-17-35/h1-10,12-13,16-25,28-31,38-39H,11,14-15,26-27H2
InChIKeyGNXJRUSBMRCKAX-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.51
Rot. Bonds4

About 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene

30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene (PubChem CID 145449923) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene.

Molecular Properties

Compound Name30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene
PubChem CID145449923
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene
SMILESc1ccc(C(=C2CCC2)c2ccc(-n3c4c5c(ccc4c4ccc6c(c7ccccc7n6-c6ccccc6)c43)C3CCC3c3ccccc3-5)cc2)cc1
InChIInChI=1S/C51H38N2/c1-3-12-32(13-4-1)47(33-14-11-15-33)34-22-24-36(25-23-34)53-50-42(29-28-41-39-27-26-38(39)37-18-7-8-19-40(37)48(41)50)43-30-31-46-49(51(43)53)44-20-9-10-21-45(44)52(46)35-16-5-2-6-17-35/h1-10,12-13,16-25,28-31,38-39H,11,14-15,26-27H2
InChIKeyGNXJRUSBMRCKAX-UHFFFAOYSA-N
XLogP13.51
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene with MolForge

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Related Compounds

15-[4-[cyclobutylidene(phenyl)methyl]phenyl]-24,24-dimethyl-6-phenyl-6,15-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;prop-1-ene
CID 145449777
14-[4-[cyclobutylidene(phenyl)methyl]phenyl]-19-(2-cyclobutylphenyl)-18-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 145449791
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
(5,12-diphenylindolo[3,2-c]carbazol-11-yl)-triphenylsilane
CID 172534521
5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole
CID 90055319
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
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CID 134168773

Frequently Asked Questions

What is the IUPAC name of 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene?
The IUPAC name of 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene (CID 145449923) is 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene.
What is the SMILES notation for 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene?
The canonical SMILES for 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene is c1ccc(C(=C2CCC2)c2ccc(-n3c4c5c(ccc4c4ccc6c(c7ccccc7n6-c6ccccc6)c43)C3CCC3c3ccccc3-5)cc2)cc1.
What is the InChIKey of 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene?
The InChIKey is GNXJRUSBMRCKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-3-12-32(13-4-1)47(33-14-11-15-33)34-22-24-36(25-23-34)53-50-42(29-28-41-39-27-26-38(39)37-18-7-8-19-40(37)48(41)50)43-30-31-46-49(51(43)53)44-20-9-10-21-45(44)52(46)35-16-5-2-6-17-35/h1-10,12-13,16-25,28-31,38-39H,11,14-15,26-27H2.
What are the key properties of 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene?
30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene has a molecular weight of 678.88 g/mol, XLogP of 13.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 30-[4-[cyclobutylidene(phenyl)methyl]phenyl]-21-phenyl-21,30-diazaoctacyclo[14.14.0.02,13.03,8.09,12.017,29.020,28.022,27]triaconta-1(16),2(13),3,5,7,14,17(29),18,20(28),22,24,26-dodecaene is sourced from PubChem (CID 145449923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).