5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene

C44H28N2 — CID 118603673

IUPAC5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3ccccc4cc(cc32)c2cc3c(c5cccc4c25)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H28N2/c1-3-15-31(16-4-1)45-39-24-11-9-19-34(39)35-20-8-7-14-29-26-30(27-41(35)45)38-28-42-44(37-23-13-22-33(29)43(37)38)36-21-10-12-25-40(36)46(42)32-17-5-2-6-18-32/h1-28H/b8-7-,14-7-,20-8+,29-14+,30-27+,35-20+,41-27+
InChIKeyQNZNGYFSYYSAGD-BBYUISIYSA-N
MW584.72 g/mol
LogP11.90
Rot. Bonds2

About 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene

5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene (PubChem CID 118603673) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene.

Molecular Properties

Compound Name5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene
PubChem CID118603673
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3ccccc4cc(cc32)c2cc3c(c5cccc4c25)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H28N2/c1-3-15-31(16-4-1)45-39-24-11-9-19-34(39)35-20-8-7-14-29-26-30(27-41(35)45)38-28-42-44(37-23-13-22-33(29)43(37)38)36-21-10-12-25-40(36)46(42)32-17-5-2-6-18-32/h1-28H/b8-7-,14-7-,20-8+,29-14+,30-27+,35-20+,41-27+
InChIKeyQNZNGYFSYYSAGD-BBYUISIYSA-N
XLogP11.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene with MolForge

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Related Compounds

4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
CID 90249088
9-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361343
9-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361345
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
16-bromo-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
CID 87411988
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
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
9-dibenzothiophen-3-yl-22-phenyl-9,22-diazahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 122465459
1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465
5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
CID 134168708

Frequently Asked Questions

What is the IUPAC name of 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene?
The IUPAC name of 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene (CID 118603673) is 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene.
What is the SMILES notation for 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene?
The canonical SMILES for 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene is c1ccc(-n2c3ccccc3c3ccccc4cc(cc32)c2cc3c(c5cccc4c25)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene?
The InChIKey is QNZNGYFSYYSAGD-BBYUISIYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-15-31(16-4-1)45-39-24-11-9-19-34(39)35-20-8-7-14-29-26-30(27-41(35)45)38-28-42-44(37-23-13-22-33(29)43(37)38)36-21-10-12-25-40(36)46(42)32-17-5-2-6-18-32/h1-28H/b8-7-,14-7-,20-8+,29-14+,30-27+,35-20+,41-27+.
What are the key properties of 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene?
5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene has a molecular weight of 584.72 g/mol, XLogP of 11.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene is sourced from PubChem (CID 118603673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).