8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene

C41H29N — CID 134510009

IUPAC8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc(-c4ccc5ccccc5c4)cc3)c21
InChIInChI=1S/C41H29N/c1-41(2)35-15-7-5-14-33(35)39-38-30(12-9-16-36(38)41)25-34-32-13-6-8-17-37(32)42(40(34)39)31-22-20-27(21-23-31)29-19-18-26-10-3-4-11-28(26)24-29/h3-25H,1-2H3
InChIKeyVEUSROYYYDKQMY-UHFFFAOYSA-N
MW535.69 g/mol
LogP11.06
Rot. Bonds2

About 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene

8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene (PubChem CID 134510009) has the molecular formula C41H29N and a molecular weight of 535.69 g/mol. Its IUPAC name is 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
PubChem CID134510009
Molecular FormulaC41H29N
Molecular Weight535.69 g/mol
Exact Mass535.23
IUPAC Name8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc(-c4ccc5ccccc5c4)cc3)c21
InChIInChI=1S/C41H29N/c1-41(2)35-15-7-5-14-33(35)39-38-30(12-9-16-36(38)41)25-34-32-13-6-8-17-37(32)42(40(34)39)31-22-20-27(21-23-31)29-19-18-26-10-3-4-11-28(26)24-29/h3-25H,1-2H3
InChIKeyVEUSROYYYDKQMY-UHFFFAOYSA-N
XLogP11.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510071
8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509949
22-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510065
22-[4-(5,6-didehydropyridin-4-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 145199037
21,21-dimethyl-3-naphthalen-2-yl-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene
CID 134510204
21,21-dimethyl-3-naphthalen-1-yl-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene;21,21-dimethyl-3-naphthalen-2-yl-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene;21,21-dimethyl-3-(6-phenylnaphthalen-2-yl)-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene;21,21-dimethyl-3-(2-phenylphenyl)-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene
CID 159759840
16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509925
8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510254
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510068
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene (CID 134510009) is 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene is CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc(-c4ccc5ccccc5c4)cc3)c21.
What is the InChIKey of 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?
The InChIKey is VEUSROYYYDKQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N/c1-41(2)35-15-7-5-14-33(35)39-38-30(12-9-16-36(38)41)25-34-32-13-6-8-17-37(32)42(40(34)39)31-22-20-27(21-23-31)29-19-18-26-10-3-4-11-28(26)24-29/h3-25H,1-2H3.
What are the key properties of 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?
8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene has a molecular weight of 535.69 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 134510009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).