23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene

C35H23N — CID 118545864

IUPAC23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4ccc5c6ccccc6[nH]c5c4c32)cc1
InChIInChI=1S/C35H23N/c1-3-11-24(12-4-1)35(25-13-5-2-6-14-25)30-17-9-7-15-26(30)28-21-19-23-20-22-29-27-16-8-10-18-31(27)36-34(29)32(23)33(28)35/h1-22,36H
InChIKeyLWPDRPYIHULQFC-UHFFFAOYSA-N
MW457.58 g/mol
LogP8.84
Rot. Bonds2

About 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene

23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene (PubChem CID 118545864) has the molecular formula C35H23N and a molecular weight of 457.58 g/mol. Its IUPAC name is 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
PubChem CID118545864
Molecular FormulaC35H23N
Molecular Weight457.58 g/mol
Exact Mass457.18
IUPAC Name23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4ccc5c6ccccc6[nH]c5c4c32)cc1
InChIInChI=1S/C35H23N/c1-3-11-24(12-4-1)35(25-13-5-2-6-14-25)30-17-9-7-15-26(30)28-21-19-23-20-22-29-27-16-8-10-18-31(27)36-34(29)32(23)33(28)35/h1-22,36H
InChIKeyLWPDRPYIHULQFC-UHFFFAOYSA-N
XLogP8.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

spiro[11H-indeno[2,1-a]carbazole-12,9'-fluorene]
CID 118343947
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CID 154322481
11,11-diphenyl-4-pyren-1-ylbenzo[a]fluorene
CID 159765639
18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134184382
19,19-dimethyl-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126738032
(7R)-2'-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 144648667
12-phenyl-12-pyridin-2-yl-5H-indeno[1,2-c]carbazole
CID 135176976
22,22-diphenyl-4-azahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1,3(11),5,7,9,12(21),13,15(20),16,18-decaene
CID 163887064
9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 122627210
13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene
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1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 123191877

Frequently Asked Questions

What is the IUPAC name of 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene?
The IUPAC name of 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene (CID 118545864) is 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene?
The canonical SMILES for 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4ccc5c6ccccc6[nH]c5c4c32)cc1.
What is the InChIKey of 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene?
The InChIKey is LWPDRPYIHULQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N/c1-3-11-24(12-4-1)35(25-13-5-2-6-14-25)30-17-9-7-15-26(30)28-21-19-23-20-22-29-27-16-8-10-18-31(27)36-34(29)32(23)33(28)35/h1-22,36H.
What are the key properties of 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene?
23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene has a molecular weight of 457.58 g/mol, XLogP of 8.84, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 118545864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).